N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide

C15H20ClN3O2 — CID 119707616

IUPACN-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H20ClN3O2/c1-9(20)18-12-5-6-13(16)14(8-12)19-15(21)10-3-2-4-11(17)7-10/h5-6,8,10-11H,2-4,7,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyCAXUWVOSTUKETM-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.75
Rot. Bonds3

About N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide

N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide (PubChem CID 119707616) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
PubChem CID119707616
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H20ClN3O2/c1-9(20)18-12-5-6-13(16)14(8-12)19-15(21)10-3-2-4-11(17)7-10/h5-6,8,10-11H,2-4,7,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyCAXUWVOSTUKETM-UHFFFAOYSA-N
XLogP2.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738470
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
CID 119759863
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119790110
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide (CID 119707616) is N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide?
The InChIKey is CAXUWVOSTUKETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(20)18-12-5-6-13(16)14(8-12)19-15(21)10-3-2-4-11(17)7-10/h5-6,8,10-11H,2-4,7,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide?
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 119707616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).