3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide

C12H11ClFNO — CID 3685780

IUPAC3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
SMILESO=C(C=Cc1c(F)cccc1Cl)NC1CC1
InChIInChI=1S/C12H11ClFNO/c13-10-2-1-3-11(14)9(10)6-7-12(16)15-8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16)
InChIKeyYMWVXQJCBXVRRT-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.77
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide

3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide (PubChem CID 3685780) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
PubChem CID3685780
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
SMILESO=C(C=Cc1c(F)cccc1Cl)NC1CC1
InChIInChI=1S/C12H11ClFNO/c13-10-2-1-3-11(14)9(10)6-7-12(16)15-8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16)
InChIKeyYMWVXQJCBXVRRT-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.77
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-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
CID 896747
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 24614374
3-(2-chloro-6-fluorophenyl)-N-(2,6-dioxopiperidin-3-yl)prop-2-enamide
CID 77109569
(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549744
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
3-(2-chloro-6-fluorophenyl)-N-cyanoprop-2-enamide
CID 79193896
3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125023
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-cyclopropylpropanoic acid
CID 43172580
(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6165611
(E)-3-(2-chloro-6-fluorophenyl)-N-propylprop-2-enamide
CID 6176761

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide (CID 3685780) is 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide is O=C(C=Cc1c(F)cccc1Cl)NC1CC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide?
The InChIKey is YMWVXQJCBXVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-10-2-1-3-11(14)9(10)6-7-12(16)15-8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide?
3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide has a molecular weight of 239.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide is sourced from PubChem (CID 3685780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).