N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide

C13H17ClN2O — CID 54925408

IUPACN-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-12-5-3-11(4-6-12)8-16-13(17)9-15-7-10-1-2-10/h3-6,10,15H,1-2,7-9H2,(H,16,17)
InChIKeyIXORXLGQRYAKKS-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.96
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide

N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 54925408) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID54925408
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-12-5-3-11(4-6-12)8-16-13(17)9-15-7-10-1-2-10/h3-6,10,15H,1-2,7-9H2,(H,16,17)
InChIKeyIXORXLGQRYAKKS-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 119901424
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119768238
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
ethyl 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoate;hydrochloride
CID 119746512
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide (CID 54925408) is N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is IXORXLGQRYAKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-5-3-11(4-6-12)8-16-13(17)9-15-7-10-1-2-10/h3-6,10,15H,1-2,7-9H2,(H,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 252.74 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 54925408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).