N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide

C18H17ClN4O — CID 155945933

IUPACN-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)ccc21
InChIInChI=1S/C18H17ClN4O/c1-22-17-9-4-13(10-16(17)20-21-22)18(24)23(15-7-8-15)11-12-2-5-14(19)6-3-12/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyCJSHKAMGQWPNEC-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide (PubChem CID 155945933) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
PubChem CID155945933
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)ccc21
InChIInChI=1S/C18H17ClN4O/c1-22-17-9-4-13(10-16(17)20-21-22)18(24)23(15-7-8-15)11-12-2-5-14(19)6-3-12/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyCJSHKAMGQWPNEC-UHFFFAOYSA-N
XLogP3.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide
CID 86925513
N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296374
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296368
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119612905
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide
CID 99778269
N-benzyl-N-cyclopropyl-2,3-diethylquinoxaline-6-carboxamide
CID 30712262
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide (CID 155945933) is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
The InChIKey is CJSHKAMGQWPNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-22-17-9-4-13(10-16(17)20-21-22)18(24)23(15-7-8-15)11-12-2-5-14(19)6-3-12/h2-6,9-10,15H,7-8,11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 155945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).