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

C11H10ClFN4O — CID 24663704

IUPACN-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN4O/c12-8-1-2-10(9(13)5-8)16-11(18)3-4-17-7-14-6-15-17/h1-2,5-7H,3-4H2,(H,16,18)
InChIKeyOZRUEJSMPAHPDL-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.10
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 24663704) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID24663704
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN4O/c12-8-1-2-10(9(13)5-8)16-11(18)3-4-17-7-14-6-15-17/h1-2,5-7H,3-4H2,(H,16,18)
InChIKeyOZRUEJSMPAHPDL-UHFFFAOYSA-N
XLogP2.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)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

N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28789404
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 81259853
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 81268848
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803947
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113255623
N-(4-bromo-2,6-difluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 65499520
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62915060
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 125433118
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 24663704) is N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OZRUEJSMPAHPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c12-8-1-2-10(9(13)5-8)16-11(18)3-4-17-7-14-6-15-17/h1-2,5-7H,3-4H2,(H,16,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 268.68 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 24663704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).