4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide

C14H17ClN4O — CID 119037288

IUPAC4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC(C)c1nncn1C
InChIInChI=1S/C14H17ClN4O/c1-9-6-11(15)4-5-12(9)14(20)16-7-10(2)13-18-17-8-19(13)3/h4-6,8,10H,7H2,1-3H3,(H,16,20)
InChIKeySETAXFXRZOVFQH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.31
Rot. Bonds4

About 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide

4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide (PubChem CID 119037288) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide
PubChem CID119037288
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC(C)c1nncn1C
InChIInChI=1S/C14H17ClN4O/c1-9-6-11(15)4-5-12(9)14(20)16-7-10(2)13-18-17-8-19(13)3/h4-6,8,10H,7H2,1-3H3,(H,16,20)
InChIKeySETAXFXRZOVFQH-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]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

4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 99823077
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
CID 106287678
4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide
CID 71985196
2-methyl-4-(2-methylpropyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazole-5-carboxamide
CID 119037284
5-chloro-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 62117753
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 55083285
2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 106501729
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The IUPAC name of 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide (CID 119037288) is 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide is Cc1cc(Cl)ccc1C(=O)NCC(C)c1nncn1C.
What is the InChIKey of 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The InChIKey is SETAXFXRZOVFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-6-11(15)4-5-12(9)14(20)16-7-10(2)13-18-17-8-19(13)3/h4-6,8,10H,7H2,1-3H3,(H,16,20).
What are the key properties of 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide is sourced from PubChem (CID 119037288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).