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

C16H12ClF2NO2 — CID 2318357

IUPAC(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C16H12ClF2NO2/c17-12-7-4-11(5-8-12)6-9-15(21)20-13-2-1-3-14(10-13)22-16(18)19/h1-10,16H,(H,20,21)/b9-6+
InChIKeyUHMGORUOGFDARB-RMKNXTFCSA-N
MW323.73 g/mol
LogP4.59
Rot. Bonds5

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

(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 2318357) has the molecular formula C16H12ClF2NO2 and a molecular weight of 323.73 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID2318357
Molecular FormulaC16H12ClF2NO2
Molecular Weight323.73 g/mol
Exact Mass323.05
IUPAC Name(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C16H12ClF2NO2/c17-12-7-4-11(5-8-12)6-9-15(21)20-13-2-1-3-14(10-13)22-16(18)19/h1-10,16H,(H,20,21)/b9-6+
InChIKeyUHMGORUOGFDARB-RMKNXTFCSA-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'}

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Related Compounds

(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 17195517
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
(E)-3-(3-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7941296
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
(E)-N-(4-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 2477751
methyl 3-[3-(4-chlorophenyl)prop-2-enoylamino]benzoate
CID 692491
(E)-3-(4-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 38032223
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 17197560
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide (CID 2318357) is (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OC(F)F)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is UHMGORUOGFDARB-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12ClF2NO2/c17-12-7-4-11(5-8-12)6-9-15(21)20-13-2-1-3-14(10-13)22-16(18)19/h1-10,16H,(H,20,21)/b9-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[3-(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 (E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 2318357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).