N-(2-bromophenyl)-3-(3-methylanilino)propanamide

C16H17BrN2O — CID 109034300

IUPACN-(2-bromophenyl)-3-(3-methylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-5-4-6-13(11-12)18-10-9-16(20)19-15-8-3-2-7-14(15)17/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyMQLFINYLQADYSA-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds5

About N-(2-bromophenyl)-3-(3-methylanilino)propanamide

N-(2-bromophenyl)-3-(3-methylanilino)propanamide (PubChem CID 109034300) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(3-methylanilino)propanamide
PubChem CID109034300
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(2-bromophenyl)-3-(3-methylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-5-4-6-13(11-12)18-10-9-16(20)19-15-8-3-2-7-14(15)17/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyMQLFINYLQADYSA-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
ethyl 4-[[3-(2-bromoanilino)-3-oxopropyl]amino]benzoate
CID 109042098
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
CID 109036681

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(3-methylanilino)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(3-methylanilino)propanamide (CID 109034300) is N-(2-bromophenyl)-3-(3-methylanilino)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(3-methylanilino)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(3-methylanilino)propanamide is Cc1cccc(NCCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-3-(3-methylanilino)propanamide?
The InChIKey is MQLFINYLQADYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-5-4-6-13(11-12)18-10-9-16(20)19-15-8-3-2-7-14(15)17/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-3-(3-methylanilino)propanamide?
N-(2-bromophenyl)-3-(3-methylanilino)propanamide has a molecular weight of 333.23 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(3-methylanilino)propanamide is sourced from PubChem (CID 109034300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).