2-chloro-N-prop-2-enylbenzamide

C10H10ClNO — CID 3244582

IUPAC2-chloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13)
InChIKeyRRTKKTTXRXQMEF-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N-prop-2-enylbenzamide

2-chloro-N-prop-2-enylbenzamide (PubChem CID 3244582) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-chloro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-chloro-N-prop-2-enylbenzamide
PubChem CID3244582
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-chloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13)
InChIKeyRRTKKTTXRXQMEF-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.26
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

2-Chlorobenzamide
CID 69111
Amylase
CID 71475145
N-Propylbenzamide
CID 25354
N-(4-Chlorobenzoyl)glycine
CID 26009
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
3-[(4-chlorobenzoyl)amino]propanoic Acid
CID 1235725
N-Benzoylbenzylamine
CID 73878
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
4-Chloro-N-(2-hydroxyethyl)benzamide
CID 233979
N-Isopropylbenzamide
CID 79503

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-prop-2-enylbenzamide?
The IUPAC name of 2-chloro-N-prop-2-enylbenzamide (CID 3244582) is 2-chloro-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-chloro-N-prop-2-enylbenzamide?
The canonical SMILES for 2-chloro-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-prop-2-enylbenzamide?
The InChIKey is RRTKKTTXRXQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13).
What are the key properties of 2-chloro-N-prop-2-enylbenzamide?
2-chloro-N-prop-2-enylbenzamide has a molecular weight of 195.65 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-prop-2-enylbenzamide is sourced from PubChem (CID 3244582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).