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

C17H11ClF2N2O2 — CID 2713850

IUPAC(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccccc1OC(F)F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H11ClF2N2O2/c18-13-5-3-6-14(9-13)22-16(23)12(10-21)8-11-4-1-2-7-15(11)24-17(19)20/h1-9,17H,(H,22,23)/b12-8-
InChIKeyDPLDYSKMJSZPGJ-WQLSENKSSA-N
MW348.74 g/mol
LogP4.49
Rot. Bonds5

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

(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 2713850) has the molecular formula C17H11ClF2N2O2 and a molecular weight of 348.74 g/mol. Its IUPAC name is (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID2713850
Molecular FormulaC17H11ClF2N2O2
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC Name(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccccc1OC(F)F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H11ClF2N2O2/c18-13-5-3-6-14(9-13)22-16(23)12(10-21)8-11-4-1-2-7-15(11)24-17(19)20/h1-9,17H,(H,22,23)/b12-8-
InChIKeyDPLDYSKMJSZPGJ-WQLSENKSSA-N
XLogP4.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 7972150
3-(2-butan-2-yloxy-3-methoxyphenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 3843510
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-2-cyano-N-(3-methoxyphenyl)prop-2-enamide
CID 27114089
(E)-N-(3-chlorophenyl)-2-cyano-3-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126054754
N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
CID 3278531
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide
CID 119056356
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 3654174
N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 74274310
(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126381407
(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 2351623
(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
CID 19175698
(Z)-2-benzoyl-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 74766181

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide (CID 2713850) is (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide is N#C/C(=C/c1ccccc1OC(F)F)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is DPLDYSKMJSZPGJ-WQLSENKSSA-N. The full InChI is InChI=1S/C17H11ClF2N2O2/c18-13-5-3-6-14(9-13)22-16(23)12(10-21)8-11-4-1-2-7-15(11)24-17(19)20/h1-9,17H,(H,22,23)/b12-8-.
What are the key properties of (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 348.74 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 2713850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).