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

C17H14ClF2NO2 — CID 3916124

IUPACN-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(OC(F)F)cc2)c(Cl)c1
InChIInChI=1S/C17H14ClF2NO2/c1-11-2-8-15(14(18)10-11)21-16(22)9-5-12-3-6-13(7-4-12)23-17(19)20/h2-10,17H,1H3,(H,21,22)
InChIKeyURUUFEUYVXDZRP-UHFFFAOYSA-N
MW337.75 g/mol
LogP4.90
Rot. Bonds5

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

N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 3916124) has the molecular formula C17H14ClF2NO2 and a molecular weight of 337.75 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID3916124
Molecular FormulaC17H14ClF2NO2
Molecular Weight337.75 g/mol
Exact Mass337.07
IUPAC NameN-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(OC(F)F)cc2)c(Cl)c1
InChIInChI=1S/C17H14ClF2NO2/c1-11-2-8-15(14(18)10-11)21-16(22)9-5-12-3-6-13(7-4-12)23-17(19)20/h2-10,17H,1H3,(H,21,22)
InChIKeyURUUFEUYVXDZRP-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 54.90
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)-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
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
(E)-N-(2-chloro-4-methylphenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 7668459
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7920115
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19394362
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 18082463
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CID 3916124) is N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccc(OC(F)F)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is URUUFEUYVXDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO2/c1-11-2-8-15(14(18)10-11)21-16(22)9-5-12-3-6-13(7-4-12)23-17(19)20/h2-10,17H,1H3,(H,21,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 337.75 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 3916124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).