3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide

C16H12ClF2NO2 — CID 953079

IUPAC3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H12ClF2NO2/c17-12-8-5-11(6-9-12)7-10-15(21)20-13-3-1-2-4-14(13)22-16(18)19/h1-10,16H,(H,20,21)
InChIKeyAKEOATOKHPNGBL-UHFFFAOYSA-N
MW323.73 g/mol
LogP4.59
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide

3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 953079) has the molecular formula C16H12ClF2NO2 and a molecular weight of 323.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID953079
Molecular FormulaC16H12ClF2NO2
Molecular Weight323.73 g/mol
Exact Mass323.05
IUPAC Name3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H12ClF2NO2/c17-12-8-5-11(6-9-12)7-10-15(21)20-13-3-1-2-4-14(13)22-16(18)19/h1-10,16H,(H,20,21)
InChIKeyAKEOATOKHPNGBL-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide 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

SB-366791
CID 667594
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
N-(5-Chloro-2-methoxyphenyl)-2-methylbenzamide
CID 576984
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
(E)-3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692416
N-(3-methoxyphenyl)-4-chlorocinnamanilide
CID 4099413
1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate
CID 4885255
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
N-(5-acetamido-2-methoxyphenyl)-4-chlorobenzamide
CID 2579845
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
(2Z)-2-(2-chloro-6-fluorobenzylidene)-2H-1,4-benzoxazin-3(4H)-one
CID 6008181
N-(2-Methoxyphenyl)Cinnamamide
CID 732134

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide (CID 953079) is 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccccc1OC(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is AKEOATOKHPNGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO2/c17-12-8-5-11(6-9-12)7-10-15(21)20-13-3-1-2-4-14(13)22-16(18)19/h1-10,16H,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide?
3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 323.73 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 953079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).