N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide

C16H15BrF2N2O — CID 109042222

IUPACN-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C16H15BrF2N2O/c1-10-8-11(17)2-5-15(10)21-16(22)6-7-20-12-3-4-13(18)14(19)9-12/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyDFHBXNRYEQGRQU-UHFFFAOYSA-N
MW369.21 g/mol
LogP4.48
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide

N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide (PubChem CID 109042222) has the molecular formula C16H15BrF2N2O and a molecular weight of 369.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
PubChem CID109042222
Molecular FormulaC16H15BrF2N2O
Molecular Weight369.21 g/mol
Exact Mass368.03
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C16H15BrF2N2O/c1-10-8-11(17)2-5-15(10)21-16(22)6-7-20-12-3-4-13(18)14(19)9-12/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyDFHBXNRYEQGRQU-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109039955
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042234
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 109035100
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide (CID 109042222) is N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide is Cc1cc(Br)ccc1NC(=O)CCNc1ccc(F)c(F)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide?
The InChIKey is DFHBXNRYEQGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N2O/c1-10-8-11(17)2-5-15(10)21-16(22)6-7-20-12-3-4-13(18)14(19)9-12/h2-5,8-9,20H,6-7H2,1H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide?
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide has a molecular weight of 369.21 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide is sourced from PubChem (CID 109042222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).