N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide

C27H27ClFN3O2 — CID 23855461

IUPACN-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
SMILESNC1CCCCC1N(Cc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H27ClFN3O2/c28-21-9-4-7-19(15-21)26(33)31-23-11-3-6-18(14-23)17-32(25-13-2-1-12-24(25)30)27(34)20-8-5-10-22(29)16-20/h3-11,14-16,24-25H,1-2,12-13,17,30H2,(H,31,33)
InChIKeyTVAXQRTVKFOXBN-UHFFFAOYSA-N
MW479.98 g/mol
LogP5.64
Rot. Bonds6

About N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide

N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide (PubChem CID 23855461) has the molecular formula C27H27ClFN3O2 and a molecular weight of 479.98 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
PubChem CID23855461
Molecular FormulaC27H27ClFN3O2
Molecular Weight479.98 g/mol
Exact Mass479.18
IUPAC NameN-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
SMILESNC1CCCCC1N(Cc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H27ClFN3O2/c28-21-9-4-7-19(15-21)26(33)31-23-11-3-6-18(14-23)17-32(25-13-2-1-12-24(25)30)27(34)20-8-5-10-22(29)16-20/h3-11,14-16,24-25H,1-2,12-13,17,30H2,(H,31,33)
InChIKeyTVAXQRTVKFOXBN-UHFFFAOYSA-N
XLogP5.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.98
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide with MolForge

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Related Compounds

N-(2-aminocyclohexyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23934541
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23796763
N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
CID 23960191
N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23820528
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
CID 23907684
N-[3-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23913264
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-[4-[[(2-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23987825
N-(2-aminocyclohexyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,5-difluorobenzamide
CID 23912042
N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide
CID 23823004
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide (CID 23855461) is N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide is NC1CCCCC1N(Cc1cccc(NC(=O)c2cccc(Cl)c2)c1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
The InChIKey is TVAXQRTVKFOXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN3O2/c28-21-9-4-7-19(15-21)26(33)31-23-11-3-6-18(14-23)17-32(25-13-2-1-12-24(25)30)27(34)20-8-5-10-22(29)16-20/h3-11,14-16,24-25H,1-2,12-13,17,30H2,(H,31,33).
What are the key properties of N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide?
N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide has a molecular weight of 479.98 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 23855461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).