N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide

C16H19ClN4O — CID 95288063

IUPACN-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H19ClN4O/c17-14-7-5-13(6-8-14)16(12-3-1-2-4-12)20-15(22)9-21-11-18-10-19-21/h5-8,10-12,16H,1-4,9H2,(H,20,22)/t16-/m0/s1
InChIKeySNGWRYIHGSEZNC-INIZCTEOSA-N
MW318.81 g/mol
LogP2.98
Rot. Bonds5

About N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 95288063) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID95288063
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H19ClN4O/c17-14-7-5-13(6-8-14)16(12-3-1-2-4-12)20-15(22)9-21-11-18-10-19-21/h5-8,10-12,16H,1-4,9H2,(H,20,22)/t16-/m0/s1
InChIKeySNGWRYIHGSEZNC-INIZCTEOSA-N
XLogP2.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)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

2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56822052
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
4-[[(4-chlorophenyl)-cyclopentylmethyl]amino]cyclohexane-1-carboxylic acid
CID 122031155
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 95288063) is N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is SNGWRYIHGSEZNC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-14-7-5-13(6-8-14)16(12-3-1-2-4-12)20-15(22)9-21-11-18-10-19-21/h5-8,10-12,16H,1-4,9H2,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 318.81 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 95288063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).