N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C12H11ClF2N4O2 — CID 42947731

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cncn1
InChIInChI=1S/C12H11ClF2N4O2/c1-7(19-6-16-5-17-19)11(20)18-8-2-3-10(9(13)4-8)21-12(14)15/h2-7,12H,1H3,(H,18,20)
InChIKeyHOOJYTXMOBAJAB-UHFFFAOYSA-N
MW316.70 g/mol
LogP2.73
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42947731) has the molecular formula C12H11ClF2N4O2 and a molecular weight of 316.70 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42947731
Molecular FormulaC12H11ClF2N4O2
Molecular Weight316.70 g/mol
Exact Mass316.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cncn1
InChIInChI=1S/C12H11ClF2N4O2/c1-7(19-6-16-5-17-19)11(20)18-8-2-3-10(9(13)4-8)21-12(14)15/h2-7,12H,1H3,(H,18,20)
InChIKeyHOOJYTXMOBAJAB-UHFFFAOYSA-N
XLogP2.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethoxy)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064673
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528260
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55778051
2,4-dichloro-5-fluoro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46439736
5-bromo-2-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55622456
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010
3-methoxy-4-propan-2-yloxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46431579
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
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-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 42947731) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cncn1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HOOJYTXMOBAJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O2/c1-7(19-6-16-5-17-19)11(20)18-8-2-3-10(9(13)4-8)21-12(14)15/h2-7,12H,1H3,(H,18,20).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 316.70 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42947731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).