(E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide

C9H7ClFNO — CID 19347566

IUPAC(E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1c(F)cccc1Cl
InChIInChI=1S/C9H7ClFNO/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H2,12,13)/b5-4+
InChIKeyRESLWTSVFJVCPS-SNAWJCMRSA-N
MW199.61 g/mol
LogP1.98
Rot. Bonds2

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

(E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide (PubChem CID 19347566) has the molecular formula C9H7ClFNO and a molecular weight of 199.61 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
PubChem CID19347566
Molecular FormulaC9H7ClFNO
Molecular Weight199.61 g/mol
Exact Mass199.02
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1c(F)cccc1Cl
InChIInChI=1S/C9H7ClFNO/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H2,12,13)/b5-4+
InChIKeyRESLWTSVFJVCPS-SNAWJCMRSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 51.98
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

(2E)-3-(2,4-Dichlorophenyl)-N-hydroxyacrylamide
CID 11708451
(2E)-3-(4-Chlorophenyl)-N-hydroxyacrylamide
CID 11694089
3-(4-Fluorophenyl)-2-propenamide
CID 923602
(2E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide
CID 24860344
(~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide
CID 53374623
(2E,4E)-5-(4-Chlorophenyl)-N-hydroxy-2,4-pentadienamide
CID 11651487
Cinnamamide, p-chloro-alpha,beta-dimethyl-, (E)-
CID 3033653
N-allyl-3-(2-chloro-6-fluorophenyl)acrylamide
CID 1744810
(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enehydroxamic acid
CID 118726031
(E)-2-(4-chloro-6-fluoro-1-indanylidene)acetamide
CID 11085478
(E)-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683296
(Z)-3-(2,4-dichlorophenyl)but-2-enamide
CID 138683308

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide (CID 19347566) is (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is NC(=O)/C=C/c1c(F)cccc1Cl.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The InChIKey is RESLWTSVFJVCPS-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H7ClFNO/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H2,12,13)/b5-4+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
(E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide has a molecular weight of 199.61 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 19347566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).