(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate

C16H10F2NO3- — CID 2279163

IUPAC(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
SMILESO=C([O-])/C(=C/c1ccc(F)cc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F2NO3/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)(H,21,22)/p-1/b14-9-
InChIKeyIEQPMMZJIGVJTE-ZROIWOOFSA-M
MW302.26 g/mol
LogP1.49
Rot. Bonds4

About (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate

(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 2279163) has the molecular formula C16H10F2NO3- and a molecular weight of 302.26 g/mol. Its IUPAC name is (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
PubChem CID2279163
Molecular FormulaC16H10F2NO3-
Molecular Weight302.26 g/mol
Exact Mass302.06
IUPAC Name(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
SMILESO=C([O-])/C(=C/c1ccc(F)cc1)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F2NO3/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)(H,21,22)/p-1/b14-9-
InChIKeyIEQPMMZJIGVJTE-ZROIWOOFSA-M
XLogP1.49
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 6014545
(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2059163
N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7380729
1-N,4-N-bis[(E)-1-(4-fluorophenyl)-3-oxo-3-(propylamino)prop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665274
(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
CID 2063688
(E)-2-[(4-fluorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
CID 22148060
N-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743
N-[(E)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5435556
N-[1-(4-bromophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 5078924
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
N-[1-(4-fluorophenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 4672413

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate (CID 2279163) is (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate is O=C([O-])/C(=C/c1ccc(F)cc1)NC(=O)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is IEQPMMZJIGVJTE-ZROIWOOFSA-M. The full InChI is InChI=1S/C16H11F2NO3/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)(H,21,22)/p-1/b14-9-.
What are the key properties of (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate?
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 302.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2279163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).