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

C16H13ClFNO — CID 8780485

IUPAC(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCc1c(Cl)cccc1NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C16H13ClFNO/c1-11-13(17)6-4-8-15(11)19-16(20)10-9-12-5-2-3-7-14(12)18/h2-10H,1H3,(H,19,20)/b10-9+
InChIKeyFGWSDBPZGHTAQS-MDZDMXLPSA-N
MW289.74 g/mol
LogP4.44
Rot. Bonds3

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

(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 8780485) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID8780485
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCc1c(Cl)cccc1NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C16H13ClFNO/c1-11-13(17)6-4-8-15(11)19-16(20)10-9-12-5-2-3-7-14(12)18/h2-10H,1H3,(H,19,20)/b10-9+
InChIKeyFGWSDBPZGHTAQS-MDZDMXLPSA-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

3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
(E)-4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid
CID 2143440
(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9414069
(E)-N-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2683620
4-(3-chloro-2-methylanilino)-4-oxobut-2-enoate
CID 4622358
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(3-bromophenyl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 2671445
N-[(3-chloro-2-methylphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4000939

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide (CID 8780485) is (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide is Cc1c(Cl)cccc1NC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is FGWSDBPZGHTAQS-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-11-13(17)6-4-8-15(11)19-16(20)10-9-12-5-2-3-7-14(12)18/h2-10H,1H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)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)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 8780485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).