2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide

C16H19ClN4O — CID 6458239

IUPAC2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C16H19ClN4O/c17-15-9-13(21-10-18-19-11-21)7-8-14(15)16(22)20-12-5-3-1-2-4-6-12/h7-12H,1-6H2,(H,20,22)
InChIKeyZKYGMXGRRJVZBZ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6458239) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID6458239
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C16H19ClN4O/c17-15-9-13(21-10-18-19-11-21)7-8-14(15)16(22)20-12-5-3-1-2-4-6-12/h7-12H,1-6H2,(H,20,22)
InChIKeyZKYGMXGRRJVZBZ-UHFFFAOYSA-N
XLogP3.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide 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-chloro-N-(oxan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide
CID 46963454
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-chloro-N-cyclopentylbenzamide
CID 669043
N-[(3R)-1-(3-amino-1,2-benzoxazol-7-yl)pyrrolidin-3-yl]-2-chloro-4-(1,2,4-triazol-4-yl)benzamide
CID 126842983
N-[(3R)-1-(3-amino-4-chloro-5-methyl-1,2-benzoxazol-7-yl)pyrrolidin-3-yl]-2-chloro-4-(1,2,4-triazol-4-yl)benzamide
CID 118457032
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2-chloro-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 110244400
5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 58433770
2-amino-2-[7-[[2-chloro-4-(1,2,4-triazol-4-yl)benzoyl]amino]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 145141305
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide (CID 6458239) is 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide is O=C(NC1CCCCCC1)c1ccc(-n2cnnc2)cc1Cl.
What is the InChIKey of 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ZKYGMXGRRJVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-15-9-13(21-10-18-19-11-21)7-8-14(15)16(22)20-12-5-3-1-2-4-6-12/h7-12H,1-6H2,(H,20,22).
What are the key properties of 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 318.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6458239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).