N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide

C18H16ClN5O2 — CID 155945833

IUPACN-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide
SMILESCC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C18H16ClN5O2/c1-12(25)21-17-9-13(7-8-16(17)19)22-18(26)10-14-11-20-24(23-14)15-5-3-2-4-6-15/h2-9,11H,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyJUJRACQIHIKJPF-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.06
Rot. Bonds5

About N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide

N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide (PubChem CID 155945833) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide
PubChem CID155945833
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide
SMILESCC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl
InChIInChI=1S/C18H16ClN5O2/c1-12(25)21-17-9-13(7-8-16(17)19)22-18(26)10-14-11-20-24(23-14)15-5-3-2-4-6-15/h2-9,11H,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyJUJRACQIHIKJPF-UHFFFAOYSA-N
XLogP3.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-chlorophenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86845072
4-(3-acetamido-4-chloroanilino)-4-oxobutanoic acid
CID 881020
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
CID 39184468
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
4-[4-chloro-3-[(2-phenylacetyl)amino]anilino]-4-oxobut-2-enoic acid
CID 2895876
(Z)-4-[4-chloro-3-[(2-phenylacetyl)amino]anilino]-4-oxobut-2-enoic acid
CID 2278101
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 87028493
2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide?
The IUPAC name of N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide (CID 155945833) is N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide?
The canonical SMILES for N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide is CC(=O)Nc1cc(NC(=O)Cc2cnn(-c3ccccc3)n2)ccc1Cl.
What is the InChIKey of N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide?
The InChIKey is JUJRACQIHIKJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-12(25)21-17-9-13(7-8-16(17)19)22-18(26)10-14-11-20-24(23-14)15-5-3-2-4-6-15/h2-9,11H,10H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide?
N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide has a molecular weight of 369.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-chlorophenyl)-2-(2-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 155945833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).