N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide

C16H12ClFN2O — CID 3883707

IUPACN-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
SMILESO=C(NN=CC(Cl)=Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H12ClFN2O/c17-14(10-12-4-2-1-3-5-12)11-19-20-16(21)13-6-8-15(18)9-7-13/h1-11H,(H,20,21)
InChIKeyIQKINZUFUMBZJF-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.82
Rot. Bonds4

About N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide

N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide (PubChem CID 3883707) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
PubChem CID3883707
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
SMILESO=C(NN=CC(Cl)=Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H12ClFN2O/c17-14(10-12-4-2-1-3-5-12)11-19-20-16(21)13-6-8-15(18)9-7-13/h1-11H,(H,20,21)
InChIKeyIQKINZUFUMBZJF-UHFFFAOYSA-N
XLogP3.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
CID 84582854
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
CID 9025596
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861718
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4607570
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 6879712
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-pyrrol-1-ylbenzamide
CID 4086901
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 4139061

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide?
The IUPAC name of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide (CID 3883707) is N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide.
What is the SMILES notation for N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide?
The canonical SMILES for N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide is O=C(NN=CC(Cl)=Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide?
The InChIKey is IQKINZUFUMBZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-14(10-12-4-2-1-3-5-12)11-19-20-16(21)13-6-8-15(18)9-7-13/h1-11H,(H,20,21).
What are the key properties of N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide?
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide has a molecular weight of 302.74 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide is sourced from PubChem (CID 3883707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).