3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide

C19H17ClFNO — CID 126801006

IUPAC3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H17ClFNO/c20-17-7-3-1-5-14(17)9-12-19(23)22(16-10-11-16)13-15-6-2-4-8-18(15)21/h1-9,12,16H,10-11,13H2
InChIKeyFTOYVIDHWFPYSZ-UHFFFAOYSA-N
MW329.80 g/mol
LogP4.68
Rot. Bonds5

About 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide

3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide (PubChem CID 126801006) has the molecular formula C19H17ClFNO and a molecular weight of 329.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
PubChem CID126801006
Molecular FormulaC19H17ClFNO
Molecular Weight329.80 g/mol
Exact Mass329.10
IUPAC Name3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H17ClFNO/c20-17-7-3-1-5-14(17)9-12-19(23)22(16-10-11-16)13-15-6-2-4-8-18(15)21/h1-9,12,16H,10-11,13H2
InChIKeyFTOYVIDHWFPYSZ-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608
(E)-N-cyclopropyl-3-(2,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 18198598
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 34577313
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 8559808
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9288941
3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide
CID 74799821
7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 34577677
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide (CID 126801006) is 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide is O=C(C=Cc1ccccc1Cl)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is FTOYVIDHWFPYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO/c20-17-7-3-1-5-14(17)9-12-19(23)22(16-10-11-16)13-15-6-2-4-8-18(15)21/h1-9,12,16H,10-11,13H2.
What are the key properties of 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide?
3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 329.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 126801006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).