4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide

C15H19ClN4O — CID 99823077

IUPAC4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCc1nnc(C(C)C)n1C
InChIInChI=1S/C15H19ClN4O/c1-9(2)14-19-18-13(20(14)4)8-17-15(21)12-6-5-11(16)7-10(12)3/h5-7,9H,8H2,1-4H3,(H,17,21)
InChIKeyNMPKUPBVAHUTST-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.83
Rot. Bonds4

About 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide

4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 99823077) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID99823077
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCc1nnc(C(C)C)n1C
InChIInChI=1S/C15H19ClN4O/c1-9(2)14-19-18-13(20(14)4)8-17-15(21)12-6-5-11(16)7-10(12)3/h5-7,9H,8H2,1-4H3,(H,17,21)
InChIKeyNMPKUPBVAHUTST-UHFFFAOYSA-N
XLogP2.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 86790778
4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 119037288
2,4-dichloro-N-[[5-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 1289966
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
CID 1007997
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582
2,4-dichloro-N-[[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126361584
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
1-(2-chloro-3-pyridinyl)-3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]urea
CID 75457749
5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide
CID 86792370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide (CID 99823077) is 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1cc(Cl)ccc1C(=O)NCc1nnc(C(C)C)n1C.
What is the InChIKey of 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is NMPKUPBVAHUTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9(2)14-19-18-13(20(14)4)8-17-15(21)12-6-5-11(16)7-10(12)3/h5-7,9H,8H2,1-4H3,(H,17,21).
What are the key properties of 4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 306.80 g/mol, XLogP of 2.83, 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-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 99823077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).