N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide

C13H15BrClNO — CID 113227506

IUPACN-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
SMILESC=C(Br)CNC(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H15BrClNO/c1-9-3-4-11(7-12(9)15)5-6-13(17)16-8-10(2)14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyLHAQKOZLHFHIQH-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.61
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide

N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide (PubChem CID 113227506) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
PubChem CID113227506
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
SMILESC=C(Br)CNC(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H15BrClNO/c1-9-3-4-11(7-12(9)15)5-6-13(17)16-8-10(2)14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyLHAQKOZLHFHIQH-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
CID 106166158
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520
3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
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3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
CID 177417745
3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043546
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 46679754
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
2-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid
CID 43357356

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide (CID 113227506) is N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide is C=C(Br)CNC(=O)CCc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is LHAQKOZLHFHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-9-3-4-11(7-12(9)15)5-6-13(17)16-8-10(2)14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide?
N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 316.63 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 113227506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).