(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide

C19H19ClFNO — CID 7920597

IUPAC(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C19H19ClFNO/c1-3-14-9-10-17(20)16(4-2)19(14)22-18(23)11-8-13-6-5-7-15(21)12-13/h5-12H,3-4H2,1-2H3,(H,22,23)/b11-8+
InChIKeyFPOWYMMQLMEFAC-DHZHZOJOSA-N
MW331.82 g/mol
LogP5.26
Rot. Bonds5

About (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide

(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 7920597) has the molecular formula C19H19ClFNO and a molecular weight of 331.82 g/mol. Its IUPAC name is (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide
PubChem CID7920597
Molecular FormulaC19H19ClFNO
Molecular Weight331.82 g/mol
Exact Mass331.11
IUPAC Name(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C19H19ClFNO/c1-3-14-9-10-17(20)16(4-2)19(14)22-18(23)11-8-13-6-5-7-15(21)12-13/h5-12H,3-4H2,1-2H3,(H,22,23)/b11-8+
InChIKeyFPOWYMMQLMEFAC-DHZHZOJOSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26198613
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8920524
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 8761699
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8779107
2-chloro-5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 84555269
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 4810781
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621065
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide (CID 7920597) is (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide is CCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is FPOWYMMQLMEFAC-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19ClFNO/c1-3-14-9-10-17(20)16(4-2)19(14)22-18(23)11-8-13-6-5-7-15(21)12-13/h5-12H,3-4H2,1-2H3,(H,22,23)/b11-8+.
What are the key properties of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 331.82 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 7920597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).