N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

C21H22N4O — CID 25093473

IUPACN-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)n[nH]1
InChIInChI=1S/C21H22N4O/c1-13-3-6-18(20-23-14(2)24-25-20)11-19(13)16-7-9-17(10-8-16)21(26)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyMJEBBSBLMQZLPI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.90
Rot. Bonds5

About N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 25093473) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID25093473
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)n[nH]1
InChIInChI=1S/C21H22N4O/c1-13-3-6-18(20-23-14(2)24-25-20)11-19(13)16-7-9-17(10-8-16)21(26)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyMJEBBSBLMQZLPI-UHFFFAOYSA-N
XLogP3.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111539002
N-(cyclopropylmethyl)-3-(6,6-dimethyl-5-oxo-7,8-dihydronaphthalen-2-yl)-4-methylbenzamide
CID 15986778
N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 136534622
2-(azepan-1-yl)-5-chloro-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyrimidine-4-carboxamide
CID 69200836
4-chloro-N-[3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]benzamide
CID 55825029
4-(4-chlorophenyl)-N-(cyclopropylmethyl)isoquinoline-6-carboxamide
CID 86282803
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 22260995

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (CID 25093473) is N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)n[nH]1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is MJEBBSBLMQZLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-3-6-18(20-23-14(2)24-25-20)11-19(13)16-7-9-17(10-8-16)21(26)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 25093473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).