(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide

C16H13ClFNO — CID 8714064

IUPAC(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFNO/c1-11-4-2-3-5-15(11)19-16(20)9-7-12-6-8-14(18)13(17)10-12/h2-10H,1H3,(H,19,20)/b9-7+
InChIKeyBTAMXLBQOGSMEK-VQHVLOKHSA-N
MW289.74 g/mol
LogP4.44
Rot. Bonds3

About (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide

(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide (PubChem CID 8714064) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
PubChem CID8714064
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFNO/c1-11-4-2-3-5-15(11)19-16(20)9-7-12-6-8-14(18)13(17)10-12/h2-10H,1H3,(H,19,20)/b9-7+
InChIKeyBTAMXLBQOGSMEK-VQHVLOKHSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-4-fluorophenyl)-N-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 9097738
(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 24554768
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 8761699
N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220813
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-3-(3-chloro-4-fluorophenyl)-N'-methyl-N'-phenylprop-2-enehydrazide
CID 9480110
methyl 3-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 36670448

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide (CID 8714064) is (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide is Cc1ccccc1NC(=O)/C=C/c1ccc(F)c(Cl)c1.
What is the InChIKey of (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is BTAMXLBQOGSMEK-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-11-4-2-3-5-15(11)19-16(20)9-7-12-6-8-14(18)13(17)10-12/h2-10H,1H3,(H,19,20)/b9-7+.
What are the key properties of (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide?
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 289.74 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 8714064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).