N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide

C11H11ClN4O — CID 47137005

IUPACN-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O/c12-9-3-1-2-4-10(9)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)
InChIKeyYOOGCUUBJTZXGP-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.96
Rot. Bonds4

About N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47137005) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID47137005
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O/c12-9-3-1-2-4-10(9)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)
InChIKeyYOOGCUUBJTZXGP-UHFFFAOYSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113255623
N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103094459
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60802050
N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130907
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62915060
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28789404
2-chloro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62562957
N-quinolin-5-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 24653404
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 81259853
N-(1H-indazol-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 47137005) is N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YOOGCUUBJTZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-3-1-2-4-10(9)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17).
What are the key properties of N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 250.69 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47137005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).