2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide

C13H15BrClNO — CID 107988333

IUPAC2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H15BrClNO/c1-3-7-16(8-4-2)13(17)11-6-5-10(15)9-12(11)14/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyXYWBNNLXBBKXGU-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.14
Rot. Bonds5

About 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide

2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide (PubChem CID 107988333) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
PubChem CID107988333
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H15BrClNO/c1-3-7-16(8-4-2)13(17)11-6-5-10(15)9-12(11)14/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyXYWBNNLXBBKXGU-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-bromo-N-butyl-4-chloro-N-(2-chloroethyl)benzamide
CID 107993555
4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
CID 107332937
2-[(2-bromo-5-chlorobenzoyl)-prop-2-enylamino]acetic acid
CID 106703905
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
CID 102705822
1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea
CID 66671923
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
CID 103222178
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
CID 107986331
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide (CID 107988333) is 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide is C=CCN(CCC)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide?
The InChIKey is XYWBNNLXBBKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-3-7-16(8-4-2)13(17)11-6-5-10(15)9-12(11)14/h3,5-6,9H,1,4,7-8H2,2H3.
What are the key properties of 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide?
2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide has a molecular weight of 316.63 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide is sourced from PubChem (CID 107988333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).