N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C13H16ClN5O — CID 75517942

IUPACN-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCNc1ccc(Cl)cc1NC(=O)C(C)n1cncn1
InChIInChI=1S/C13H16ClN5O/c1-3-16-11-5-4-10(14)6-12(11)18-13(20)9(2)19-8-15-7-17-19/h4-9,16H,3H2,1-2H3,(H,18,20)
InChIKeyWYBOUWSMWJTPMA-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.56
Rot. Bonds5

About N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 75517942) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID75517942
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCNc1ccc(Cl)cc1NC(=O)C(C)n1cncn1
InChIInChI=1S/C13H16ClN5O/c1-3-16-11-5-4-10(14)6-12(11)18-13(20)9(2)19-8-15-7-17-19/h4-9,16H,3H2,1-2H3,(H,18,20)
InChIKeyWYBOUWSMWJTPMA-UHFFFAOYSA-N
XLogP2.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 81028083
N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16783732
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34947799
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61130531
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601183
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86784056
N-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42959524
tert-butyl N-[4-fluoro-3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]carbamate
CID 56789257
N-(4-bromo-3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113231155

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 75517942) is N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CCNc1ccc(Cl)cc1NC(=O)C(C)n1cncn1.
What is the InChIKey of N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WYBOUWSMWJTPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-3-16-11-5-4-10(14)6-12(11)18-13(20)9(2)19-8-15-7-17-19/h4-9,16H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 293.76 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 75517942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).