N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide

C20H20ClFN2O2 — CID 71561313

IUPACN-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
SMILESO=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(F)c1
InChIInChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
InChIKeyYLQJLHCKRNGVIP-ROUUACIJSA-N
MW374.84 g/mol
LogP3.95
Rot. Bonds4

About N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide

N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide (PubChem CID 71561313) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
PubChem CID71561313
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
SMILESO=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(F)c1
InChIInChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
InChIKeyYLQJLHCKRNGVIP-ROUUACIJSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide with MolForge

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Related Compounds

3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
CID 95983840
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)amino]cyclohexane-1-carboxylate
CID 156759054
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide?
The IUPAC name of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide (CID 71561313) is N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide?
The canonical SMILES for N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide is O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(F)c1.
What is the InChIKey of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide?
The InChIKey is YLQJLHCKRNGVIP-ROUUACIJSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide?
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide has a molecular weight of 374.84 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide is sourced from PubChem (CID 71561313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).