3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C12H13ClN4O2 — CID 47164092

IUPAC3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncn[nH]2)cc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-19-10-4-2-8(6-9(10)13)3-5-11(18)16-12-14-7-15-17-12/h2,4,6-7H,3,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyAZSDYUVDXULPMD-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.04
Rot. Bonds5

About 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide

3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 47164092) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID47164092
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncn[nH]2)cc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-19-10-4-2-8(6-9(10)13)3-5-11(18)16-12-14-7-15-17-12/h2,4,6-7H,3,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyAZSDYUVDXULPMD-UHFFFAOYSA-N
XLogP2.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 60966650
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 55510042
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55512022
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxybenzoate
CID 56577397
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 720861
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
3-(3-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 55027759
4-(3-chloro-4-methoxyphenyl)butanehydrazide
CID 116843564
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 47164092) is 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is COc1ccc(CCC(=O)Nc2ncn[nH]2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is AZSDYUVDXULPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-19-10-4-2-8(6-9(10)13)3-5-11(18)16-12-14-7-15-17-12/h2,4,6-7H,3,5H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 280.72 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 47164092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).