3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide

C16H12Cl2N2O2 — CID 24555546

IUPAC3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H12Cl2N2O2/c17-12-6-10(7-13(18)9-12)4-5-15(21)20-14-3-1-2-11(8-14)16(19)22/h1-9H,(H2,19,22)(H,20,21)/b5-4+
InChIKeyXQFNXPHYIRMINZ-SNAWJCMRSA-N
MW335.19 g/mol
LogP3.74
Rot. Bonds4

About 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide

3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 24555546) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide
PubChem CID24555546
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H12Cl2N2O2/c17-12-6-10(7-13(18)9-12)4-5-15(21)20-14-3-1-2-11(8-14)16(19)22/h1-9H,(H2,19,22)(H,20,21)/b5-4+
InChIKeyXQFNXPHYIRMINZ-SNAWJCMRSA-N
XLogP3.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 24555485
methyl 3-[3-(4-chlorophenyl)prop-2-enoylamino]benzoate
CID 692491
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 6158871
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide
CID 73391551
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
ethyl 3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]benzoate
CID 4181122
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331413
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 17197560

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide (CID 24555546) is 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide is NC(=O)c1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is XQFNXPHYIRMINZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-12-6-10(7-13(18)9-12)4-5-15(21)20-14-3-1-2-11(8-14)16(19)22/h1-9H,(H2,19,22)(H,20,21)/b5-4+.
What are the key properties of 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide?
3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 335.19 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 24555546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).