(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide

C13H9ClFNO2 — CID 802779

IUPAC(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFNO2/c14-11-8-9(3-5-12(11)15)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyITDUADYMCKVROO-GQCTYLIASA-N
MW265.67 g/mol
LogP3.72
Rot. Bonds3

About (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 802779) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID802779
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFNO2/c14-11-8-9(3-5-12(11)15)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+
InChIKeyITDUADYMCKVROO-GQCTYLIASA-N
XLogP3.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 4927303
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide
CID 1007741
N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
CID 6890226
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1109862
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (CID 802779) is (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ITDUADYMCKVROO-GQCTYLIASA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-8-9(3-5-12(11)15)16-13(17)6-4-10-2-1-7-18-10/h1-8H,(H,16,17)/b6-4+.
What are the key properties of (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 265.67 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 802779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).