N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide

C19H20N4O2 — CID 14638297

IUPACN-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(C4CCCC4)nc3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-16-9-6-13(7-10-16)19(24)20-14-8-11-17-18(12-14)22-23(21-17)15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,20,24)
InChIKeySSSIXZFTOCAHNO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.81
Rot. Bonds4

About N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide

N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide (PubChem CID 14638297) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide
PubChem CID14638297
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(C4CCCC4)nc3c2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-16-9-6-13(7-10-16)19(24)20-14-8-11-17-18(12-14)22-23(21-17)15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,20,24)
InChIKeySSSIXZFTOCAHNO-UHFFFAOYSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
CID 14638301
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-[(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-2-yl]-4-methoxybenzamide
CID 7085029
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
CID 1213715
N-[4-[(4aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-3-methoxyphenyl]-4-methoxybenzamide
CID 142924943
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
4-(cyclohexylcarbamothioylamino)-N-(4-methoxyphenyl)benzamide
CID 8624627
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide?
The IUPAC name of N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide (CID 14638297) is N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3nn(C4CCCC4)nc3c2)cc1.
What is the InChIKey of N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide?
The InChIKey is SSSIXZFTOCAHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-16-9-6-13(7-10-16)19(24)20-14-8-11-17-18(12-14)22-23(21-17)15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,20,24).
What are the key properties of N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide?
N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide has a molecular weight of 336.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 14638297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).