N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide

C13H16ClN5O — CID 75448832

IUPACN-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
SMILESCCCNc1ccc(Cl)cc1NC(=O)Cn1ccnn1
InChIInChI=1S/C13H16ClN5O/c1-2-5-15-11-4-3-10(14)8-12(11)17-13(20)9-19-7-6-16-18-19/h3-4,6-8,15H,2,5,9H2,1H3,(H,17,20)
InChIKeyXOJUPRZPNYTMML-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.39
Rot. Bonds6

About N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide

N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide (PubChem CID 75448832) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
PubChem CID75448832
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
SMILESCCCNc1ccc(Cl)cc1NC(=O)Cn1ccnn1
InChIInChI=1S/C13H16ClN5O/c1-2-5-15-11-4-3-10(14)8-12(11)17-13(20)9-19-7-6-16-18-19/h3-4,6-8,15H,2,5,9H2,1H3,(H,17,20)
InChIKeyXOJUPRZPNYTMML-UHFFFAOYSA-N
XLogP2.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(triazol-1-yl)acetamide
CID 75437642
3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
3-chloro-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 115348267
5-chloro-2-ethyl-N-propylaniline
CID 145484900
2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
CID 110690000
6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide
CID 176575728
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-(triazol-1-yl)propanamide
CID 81281009

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide (CID 75448832) is N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide is CCCNc1ccc(Cl)cc1NC(=O)Cn1ccnn1.
What is the InChIKey of N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide?
The InChIKey is XOJUPRZPNYTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-2-5-15-11-4-3-10(14)8-12(11)17-13(20)9-19-7-6-16-18-19/h3-4,6-8,15H,2,5,9H2,1H3,(H,17,20).
What are the key properties of N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide?
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide has a molecular weight of 293.76 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 75448832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).