N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide

C17H15ClN4O — CID 41198922

IUPACN-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15ClN4O/c18-13-6-3-11(4-7-13)16(10-1-2-10)19-17(23)12-5-8-14-15(9-12)21-22-20-14/h3-10,16H,1-2H2,(H,19,23)(H,20,21,22)/t16-/m1/s1
InChIKeyFOACQGAINIOSEQ-MRXNPFEDSA-N
MW326.79 g/mol
LogP3.49
Rot. Bonds4

About N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide

N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 41198922) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide
PubChem CID41198922
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15ClN4O/c18-13-6-3-11(4-7-13)16(10-1-2-10)19-17(23)12-5-8-14-15(9-12)21-22-20-14/h3-10,16H,1-2H2,(H,19,23)(H,20,21,22)/t16-/m1/s1
InChIKeyFOACQGAINIOSEQ-MRXNPFEDSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide
CID 41155829
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 98287820
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
CID 45353412
N-[(1S)-1-(4-methylphenyl)propyl]-2H-benzotriazole-5-carboxamide
CID 51562771
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 35246882
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]furan-2-carboxamide
CID 40919026
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
2-[2-(1H-benzimidazol-2-yl)-6-chlorophenyl]-5-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]carbamoyl]benzoic acid
CID 154995934
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 25371184

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide (CID 41198922) is N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide is O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is FOACQGAINIOSEQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-13-6-3-11(4-7-13)16(10-1-2-10)19-17(23)12-5-8-14-15(9-12)21-22-20-14/h3-10,16H,1-2H2,(H,19,23)(H,20,21,22)/t16-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide?
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 41198922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).