N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide

C15H14N4O — CID 25341525

IUPACN-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C15H14N4O/c1-19(10-11-5-3-2-4-6-11)15(20)12-7-8-13-14(9-12)17-18-16-13/h2-9H,10H2,1H3,(H,16,17,18)
InChIKeyMDUYCBWRCAPRLN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.23
Rot. Bonds3

About N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide

N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 25341525) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
PubChem CID25341525
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C15H14N4O/c1-19(10-11-5-3-2-4-6-11)15(20)12-7-8-13-14(9-12)17-18-16-13/h2-9H,10H2,1H3,(H,16,17,18)
InChIKeyMDUYCBWRCAPRLN-UHFFFAOYSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
N-benzyl-4-fluoro-N-methylbenzamide
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N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
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2-[2H-benzotriazole-5-carbonyl(methyl)amino]propanoic acid
CID 62626737
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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CID 141379773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide (CID 25341525) is N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is MDUYCBWRCAPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(10-11-5-3-2-4-6-11)15(20)12-7-8-13-14(9-12)17-18-16-13/h2-9H,10H2,1H3,(H,16,17,18).
What are the key properties of N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide?
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 25341525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).