4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide

C11H12BrClN2O — CID 102665063

IUPAC4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
SMILESC=C(Br)CNCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H12BrClN2O/c1-7(12)5-15-6-9-3-2-8(11(14)16)4-10(9)13/h2-4,15H,1,5-6H2,(H2,14,16)
InChIKeyKWJPDCOOBYKRPL-UHFFFAOYSA-N
MW303.59 g/mol
LogP2.44
Rot. Bonds5

About 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide

4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide (PubChem CID 102665063) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
PubChem CID102665063
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
SMILESC=C(Br)CNCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H12BrClN2O/c1-7(12)5-15-6-9-3-2-8(11(14)16)4-10(9)13/h2-4,15H,1,5-6H2,(H2,14,16)
InChIKeyKWJPDCOOBYKRPL-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
CID 102665002
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 106133041
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
CID 102664164
4-[(but-3-en-2-ylamino)methyl]-3-chlorobenzamide
CID 102665091
3-chloro-4-[[2-(2-methylpropoxy)ethylamino]methyl]benzamide
CID 102665152
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
CID 102664463
3-chloro-4-[(3-methylsulfinylpropylamino)methyl]benzamide
CID 102665106
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
CID 102665048

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide (CID 102665063) is 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide is C=C(Br)CNCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide?
The InChIKey is KWJPDCOOBYKRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O/c1-7(12)5-15-6-9-3-2-8(11(14)16)4-10(9)13/h2-4,15H,1,5-6H2,(H2,14,16).
What are the key properties of 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide?
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide has a molecular weight of 303.59 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102665063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).