(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide

C15H19ClN4O2 — CID 27211359

IUPAC(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)nc1C
InChIInChI=1S/C15H19ClN4O2/c1-9(20-11(3)17-10(2)19-20)7-15(21)18-13-8-12(16)5-6-14(13)22-4/h5-6,8-9H,7H2,1-4H3,(H,18,21)/t9-/m1/s1
InChIKeyASQORVRIOLKQQE-SECBINFHSA-N
MW322.80 g/mol
LogP3.15
Rot. Bonds5

About (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide

(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide (PubChem CID 27211359) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
PubChem CID27211359
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)nc1C
InChIInChI=1S/C15H19ClN4O2/c1-9(20-11(3)17-10(2)19-20)7-15(21)18-13-8-12(16)5-6-14(13)22-4/h5-6,8-9H,7H2,1-4H3,(H,18,21)/t9-/m1/s1
InChIKeyASQORVRIOLKQQE-SECBINFHSA-N
XLogP3.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)butanamide
CID 7263462
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 8722030
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878
4-(5-chloro-2-methoxyanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 3379069
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
4-(5-chloro-2-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 16803555
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047956

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
The IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide (CID 27211359) is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide is COc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)nc1C.
What is the InChIKey of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
The InChIKey is ASQORVRIOLKQQE-SECBINFHSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-9(20-11(3)17-10(2)19-20)7-15(21)18-13-8-12(16)5-6-14(13)22-4/h5-6,8-9H,7H2,1-4H3,(H,18,21)/t9-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide has a molecular weight of 322.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 27211359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).