N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

C24H29ClFN3O3 — CID 55609869

IUPACN-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C24H29ClFN3O3/c1-16(2)22(28-23(30)18-8-4-6-10-20(18)26)24(31)27-15-21(29-11-13-32-14-12-29)17-7-3-5-9-19(17)25/h3-10,16,21-22H,11-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyPWMAEGMEOGIVHG-UHFFFAOYSA-N
MW461.97 g/mol
LogP3.42
Rot. Bonds8

About N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (PubChem CID 55609869) has the molecular formula C24H29ClFN3O3 and a molecular weight of 461.97 g/mol. Its IUPAC name is N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
PubChem CID55609869
Molecular FormulaC24H29ClFN3O3
Molecular Weight461.97 g/mol
Exact Mass461.19
IUPAC NameN-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C24H29ClFN3O3/c1-16(2)22(28-23(30)18-8-4-6-10-20(18)26)24(31)27-15-21(29-11-13-32-14-12-29)17-7-3-5-9-19(17)25/h3-10,16,21-22H,11-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyPWMAEGMEOGIVHG-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-[[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508551
N-[(2S)-1-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508548
N-[(2R)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 25487459
N-[(2S)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 25487454
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 24638619
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide
CID 24619933
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2,4-dichloro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497250
2,4-dichloro-N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497257
4-chloro-N-[(2S)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25496500
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (CID 55609869) is N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is CC(C)C(NC(=O)c1ccccc1F)C(=O)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The InChIKey is PWMAEGMEOGIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O3/c1-16(2)22(28-23(30)18-8-4-6-10-20(18)26)24(31)27-15-21(29-11-13-32-14-12-29)17-7-3-5-9-19(17)25/h3-10,16,21-22H,11-15H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide has a molecular weight of 461.97 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 55609869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).