3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide

C14H19ClN2O — CID 119689399

IUPAC3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
SMILESCC(N)CC(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H19ClN2O/c1-9(16)8-13(18)17-14(10-2-3-10)11-4-6-12(15)7-5-11/h4-7,9-10,14H,2-3,8,16H2,1H3,(H,17,18)
InChIKeyFNIPGXHFEAMIKR-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.64
Rot. Bonds5

About 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide

3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide (PubChem CID 119689399) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
PubChem CID119689399
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
SMILESCC(N)CC(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H19ClN2O/c1-9(16)8-13(18)17-14(10-2-3-10)11-4-6-12(15)7-5-11/h4-7,9-10,14H,2-3,8,16H2,1H3,(H,17,18)
InChIKeyFNIPGXHFEAMIKR-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide
CID 119763696
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
CID 171677203
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 78806157
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide (CID 119689399) is 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide is CC(N)CC(=O)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide?
The InChIKey is FNIPGXHFEAMIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(16)8-13(18)17-14(10-2-3-10)11-4-6-12(15)7-5-11/h4-7,9-10,14H,2-3,8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide?
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide has a molecular weight of 266.77 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide is sourced from PubChem (CID 119689399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).