2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

C17H14Cl2N2O2 — CID 24529652

IUPAC2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-2-10-20-16(22)11-6-3-4-9-14(11)21-17(23)12-7-5-8-13(18)15(12)19/h2-9H,1,10H2,(H,20,22)(H,21,23)
InChIKeyYLHLGJWACCLCGC-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.16
Rot. Bonds5

About 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 24529652) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID24529652
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-2-10-20-16(22)11-6-3-4-9-14(11)21-17(23)12-7-5-8-13(18)15(12)19/h2-9H,1,10H2,(H,20,22)(H,21,23)
InChIKeyYLHLGJWACCLCGC-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[(2-chlorobenzoyl)amino]-5-iodo-N-prop-2-enylbenzamide
CID 2197329
2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 126135724
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3161672
1-[(2,6-dichlorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923614
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18155897
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 24529652) is 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is YLHLGJWACCLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-2-10-20-16(22)11-6-3-4-9-14(11)21-17(23)12-7-5-8-13(18)15(12)19/h2-9H,1,10H2,(H,20,22)(H,21,23).
What are the key properties of 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 349.22 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 24529652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).