N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide

C32H34ClFN2O4 — CID 22345309

IUPACN-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide
SMILESCOc1cccc(Cc2c(C(C(C)C)N(CCCN)C(=O)c3ccc(C)c(F)c3)oc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C32H34ClFN2O4/c1-19(2)29(36(14-6-13-35)32(38)22-10-9-20(3)27(34)17-22)31-26(16-21-7-5-8-24(15-21)39-4)30(37)25-12-11-23(33)18-28(25)40-31/h5,7-12,15,17-19,29H,6,13-14,16,35H2,1-4H3
InChIKeyBJMXJCRBDAODKA-UHFFFAOYSA-N
MW565.09 g/mol
LogP6.68
Rot. Bonds10

About N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide

N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide (PubChem CID 22345309) has the molecular formula C32H34ClFN2O4 and a molecular weight of 565.09 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide
PubChem CID22345309
Molecular FormulaC32H34ClFN2O4
Molecular Weight565.09 g/mol
Exact Mass564.22
IUPAC NameN-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide
SMILESCOc1cccc(Cc2c(C(C(C)C)N(CCCN)C(=O)c3ccc(C)c(F)c3)oc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C32H34ClFN2O4/c1-19(2)29(36(14-6-13-35)32(38)22-10-9-20(3)27(34)17-22)31-26(16-21-7-5-8-24(15-21)39-4)30(37)25-12-11-23(33)18-28(25)40-31/h5,7-12,15,17-19,29H,6,13-14,16,35H2,1-4H3
InChIKeyBJMXJCRBDAODKA-UHFFFAOYSA-N
XLogP6.68
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.09
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-[1-[7-fluoro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-2-methoxyacetamide
CID 22345267
2-(1-amino-2-methylpropyl)-3-benzyl-7-chlorochromen-4-one;N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide;N-[3-[[1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]amino]propyl]-methylboronamidic acid;N-[3-[[1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]-methylboronamidic acid;methyl-N-(3-oxopropyl)boronamidic acid
CID 161073689
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-cyano-4-oxochromen-2-yl)-2-methylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66756119
2-[1-[2-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-5-yl]-2-methylpropyl]-7-chloro-3-[(3-methoxyphenyl)methyl]chromen-4-one
CID 91451610
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-3-[1-[2-benzyl-3-(3-hydroxyphenyl)-4-oxo-1H-quinolin-6-yl]piperidin-3-yl]-2-methylpropyl]-4-methylbenzamide
CID 144940329
2-(1-amino-2-methylpropyl)-3-benzyl-7-methoxychromen-4-one
CID 89058488
[4-[[(2S)-2-[[(2S)-2-[[4-[[ethynyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]amino]benzoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate
CID 177267423
2-[[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxopyrano[2,3-b]pyridin-2-yl]-2-methylpropyl]amino]ethyl N-(2-methylpropyl)carbamate
CID 90945813
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-4-methoxybenzamide
CID 11699383
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 10229801
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543
[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxopyrano[2,3-b]pyridin-2-yl]-2-methylpropyl] N-(2-methylpropyl)carbamate
CID 91500258

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide (CID 22345309) is N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide is COc1cccc(Cc2c(C(C(C)C)N(CCCN)C(=O)c3ccc(C)c(F)c3)oc3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide?
The InChIKey is BJMXJCRBDAODKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN2O4/c1-19(2)29(36(14-6-13-35)32(38)22-10-9-20(3)27(34)17-22)31-26(16-21-7-5-8-24(15-21)39-4)30(37)25-12-11-23(33)18-28(25)40-31/h5,7-12,15,17-19,29H,6,13-14,16,35H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide?
N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide has a molecular weight of 565.09 g/mol, XLogP of 6.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-methoxyphenyl)methyl]-4-oxochromen-2-yl]-2-methylpropyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 22345309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).