N-(2-phenylbenzotriazol-5-yl)pentanamide

C17H18N4O — CID 17219676

IUPACN-(2-phenylbenzotriazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-2-3-9-17(22)18-13-10-11-15-16(12-13)20-21(19-15)14-7-5-4-6-8-14/h4-8,10-12H,2-3,9H2,1H3,(H,18,22)
InChIKeyNLXNMBFQSRPVMV-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.55
Rot. Bonds5

About N-(2-phenylbenzotriazol-5-yl)pentanamide

N-(2-phenylbenzotriazol-5-yl)pentanamide (PubChem CID 17219676) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-phenylbenzotriazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(2-phenylbenzotriazol-5-yl)pentanamide
PubChem CID17219676
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(2-phenylbenzotriazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C17H18N4O/c1-2-3-9-17(22)18-13-10-11-15-16(12-13)20-21(19-15)14-7-5-4-6-8-14/h4-8,10-12H,2-3,9H2,1H3,(H,18,22)
InChIKeyNLXNMBFQSRPVMV-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
CID 17219836
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-chlorobutanamide
CID 4512212
4-oxo-4-[(2-phenylbenzotriazol-5-yl)amino]but-2-enoate
CID 6935967
N-(2,5-diphenyltriazol-4-yl)pentanamide
CID 101457344
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
dimethyl (E)-2-[(2-phenylbenzotriazol-5-yl)amino]but-2-enedioate
CID 168566704
N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
CID 142744266
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide
CID 30308315

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbenzotriazol-5-yl)pentanamide?
The IUPAC name of N-(2-phenylbenzotriazol-5-yl)pentanamide (CID 17219676) is N-(2-phenylbenzotriazol-5-yl)pentanamide.
What is the SMILES notation for N-(2-phenylbenzotriazol-5-yl)pentanamide?
The canonical SMILES for N-(2-phenylbenzotriazol-5-yl)pentanamide is CCCCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of N-(2-phenylbenzotriazol-5-yl)pentanamide?
The InChIKey is NLXNMBFQSRPVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-3-9-17(22)18-13-10-11-15-16(12-13)20-21(19-15)14-7-5-4-6-8-14/h4-8,10-12H,2-3,9H2,1H3,(H,18,22).
What are the key properties of N-(2-phenylbenzotriazol-5-yl)pentanamide?
N-(2-phenylbenzotriazol-5-yl)pentanamide has a molecular weight of 294.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbenzotriazol-5-yl)pentanamide is sourced from PubChem (CID 17219676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).