3,5-dichloro-N-prop-2-enylbenzamide

C10H9Cl2NO — CID 2767299

IUPAC3,5-dichloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h2,4-6H,1,3H2,(H,13,14)
InChIKeyNVTJRCJUDHDHMV-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.91
Rot. Bonds3

About 3,5-dichloro-N-prop-2-enylbenzamide

3,5-dichloro-N-prop-2-enylbenzamide (PubChem CID 2767299) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 3,5-dichloro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-prop-2-enylbenzamide
PubChem CID2767299
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name3,5-dichloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h2,4-6H,1,3H2,(H,13,14)
InChIKeyNVTJRCJUDHDHMV-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-Propylbenzamide
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CID 11959
N-Butylbenzamide
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3-[(4-chlorobenzoyl)amino]propanoic Acid
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N-butyl-2-chlorobenzamide
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2-Chloro-N-phenethyl-benzamide
CID 692233
4-Chloro-N-(2-hydroxyethyl)benzamide
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N-(2-Methylpropyl)benzamide
CID 95140
Jnj-63533054
CID 2548547
3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 45115620

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-prop-2-enylbenzamide?
The IUPAC name of 3,5-dichloro-N-prop-2-enylbenzamide (CID 2767299) is 3,5-dichloro-N-prop-2-enylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-prop-2-enylbenzamide?
The canonical SMILES for 3,5-dichloro-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-prop-2-enylbenzamide?
The InChIKey is NVTJRCJUDHDHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h2,4-6H,1,3H2,(H,13,14).
What are the key properties of 3,5-dichloro-N-prop-2-enylbenzamide?
3,5-dichloro-N-prop-2-enylbenzamide has a molecular weight of 230.09 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-prop-2-enylbenzamide is sourced from PubChem (CID 2767299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).