2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide

C15H23BrN2O — CID 104937935

IUPAC2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-13(6-2)18-15(19)11(4)17-14-8-10(3)7-12(16)9-14/h7-9,11,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyWETAFGIUKQQKSA-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.86
Rot. Bonds6

About 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide

2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide (PubChem CID 104937935) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
PubChem CID104937935
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-13(6-2)18-15(19)11(4)17-14-8-10(3)7-12(16)9-14/h7-9,11,13,17H,5-6H2,1-4H3,(H,18,19)
InChIKeyWETAFGIUKQQKSA-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
CID 107573469
2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
CID 43126659
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
2-(3-bromo-5-methylanilino)-3-methoxypropanoic acid
CID 107584256
(2R)-2-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576611
2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide (CID 104937935) is 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1cc(C)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide?
The InChIKey is WETAFGIUKQQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-13(6-2)18-15(19)11(4)17-14-8-10(3)7-12(16)9-14/h7-9,11,13,17H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide?
2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 104937935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).