N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide

C13H19BrN2O — CID 60852007

IUPACN-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(C)C
InChIInChI=1S/C13H19BrN2O/c1-9(2)15-7-6-13(17)16-12-8-11(14)5-4-10(12)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyDKCQQVSSOWFGDQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.08
Rot. Bonds5

About N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide

N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60852007) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID60852007
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(C)C
InChIInChI=1S/C13H19BrN2O/c1-9(2)15-7-6-13(17)16-12-8-11(14)5-4-10(12)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyDKCQQVSSOWFGDQ-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
N-(4-bromo-2-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 60850398
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
4-methyl-3-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854184
(2S)-2-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-methylpentanamide
CID 119764254
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 107574235
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide (CID 60852007) is N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide is Cc1ccc(Br)cc1NC(=O)CCNC(C)C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is DKCQQVSSOWFGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)15-7-6-13(17)16-12-8-11(14)5-4-10(12)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide?
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 299.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).