N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide

C15H21ClN2O — CID 114457006

IUPACN-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CC1CCCCCC1
InChIInChI=1S/C15H21ClN2O/c16-12-7-8-13(17)14(10-12)18-15(19)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9,17H2,(H,18,19)
InChIKeyRASVGCPCVXBZNC-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.22
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide

N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide (PubChem CID 114457006) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
PubChem CID114457006
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CC1CCCCCC1
InChIInChI=1S/C15H21ClN2O/c16-12-7-8-13(17)14(10-12)18-15(19)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9,17H2,(H,18,19)
InChIKeyRASVGCPCVXBZNC-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide (CID 114457006) is N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide is Nc1ccc(Cl)cc1NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide?
The InChIKey is RASVGCPCVXBZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-12-7-8-13(17)14(10-12)18-15(19)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9,17H2,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide?
N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide has a molecular weight of 280.80 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide is sourced from PubChem (CID 114457006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).