3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide

C13H17BrClNO — CID 172652070

IUPAC3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO/c1-9(2)8-16-13(17)6-4-10-3-5-11(14)7-12(10)15/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyRCLIEXNDGQIZNU-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.81
Rot. Bonds5

About 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide

3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide (PubChem CID 172652070) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
PubChem CID172652070
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO/c1-9(2)8-16-13(17)6-4-10-3-5-11(14)7-12(10)15/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyRCLIEXNDGQIZNU-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968
3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide
CID 172652075
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2433513
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119753670

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide (CID 172652070) is 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCc1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is RCLIEXNDGQIZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-9(2)8-16-13(17)6-4-10-3-5-11(14)7-12(10)15/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide?
3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 318.64 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 172652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).