3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide

C13H14ClFN4O — CID 121177198

IUPAC3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(F)c(Cl)c1)NCCn1nccn1
InChIInChI=1S/C13H14ClFN4O/c14-11-9-10(1-3-12(11)15)2-4-13(20)16-7-8-19-17-5-6-18-19/h1,3,5-6,9H,2,4,7-8H2,(H,16,20)
InChIKeyZRUJRNUZVOFAER-UHFFFAOYSA-N
MW296.73 g/mol
LogP1.82
Rot. Bonds6

About 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide

3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide (PubChem CID 121177198) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide
PubChem CID121177198
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(F)c(Cl)c1)NCCn1nccn1
InChIInChI=1S/C13H14ClFN4O/c14-11-9-10(1-3-12(11)15)2-4-13(20)16-7-8-19-17-5-6-18-19/h1,3,5-6,9H,2,4,7-8H2,(H,16,20)
InChIKeyZRUJRNUZVOFAER-UHFFFAOYSA-N
XLogP1.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide
CID 115173289
3-(3-chloro-4-fluorophenyl)-N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]propanamide
CID 122320904
3-(3-chloro-4-fluorophenyl)-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122294239
3-(3-chloro-4-fluorophenyl)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]propanamide
CID 122290240
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropanamide
CID 110790499
3-(4-chloro-3-fluorophenyl)-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
CID 129417209
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807
3-(3-chloro-4-fluorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322348
3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
CID 122253619

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide (CID 121177198) is 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide is O=C(CCc1ccc(F)c(Cl)c1)NCCn1nccn1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide?
The InChIKey is ZRUJRNUZVOFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c14-11-9-10(1-3-12(11)15)2-4-13(20)16-7-8-19-17-5-6-18-19/h1,3,5-6,9H,2,4,7-8H2,(H,16,20).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide?
3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide has a molecular weight of 296.73 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 121177198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).