4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide

C17H14BrF2NO3 — CID 38169110

IUPAC4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H14BrF2NO3/c18-12-7-5-11(6-8-12)14(22)9-10-16(23)21-13-3-1-2-4-15(13)24-17(19)20/h1-8,17H,9-10H2,(H,21,23)
InChIKeyGQGHBFPAWKOIGI-UHFFFAOYSA-N
MW398.20 g/mol
LogP4.65
Rot. Bonds7

About 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide

4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide (PubChem CID 38169110) has the molecular formula C17H14BrF2NO3 and a molecular weight of 398.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide
PubChem CID38169110
Molecular FormulaC17H14BrF2NO3
Molecular Weight398.20 g/mol
Exact Mass397.01
IUPAC Name4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H14BrF2NO3/c18-12-7-5-11(6-8-12)14(22)9-10-16(23)21-13-3-1-2-4-15(13)24-17(19)20/h1-8,17H,9-10H2,(H,21,23)
InChIKeyGQGHBFPAWKOIGI-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)sulfanyl-N-[2-(difluoromethoxy)phenyl]propanamide
CID 60564287
4-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]-4-oxobutanamide
CID 26800921
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2400404
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide
CID 60564257
methyl 3-bromo-4-[2-[2-(difluoromethoxy)anilino]-2-oxoethoxy]benzoate
CID 36941226
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855020
3-(4-bromo-3-methylpyrazol-1-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 19565658

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide (CID 38169110) is 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccccc1OC(F)F.
What is the InChIKey of 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide?
The InChIKey is GQGHBFPAWKOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2NO3/c18-12-7-5-11(6-8-12)14(22)9-10-16(23)21-13-3-1-2-4-15(13)24-17(19)20/h1-8,17H,9-10H2,(H,21,23).
What are the key properties of 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide?
4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide has a molecular weight of 398.20 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide is sourced from PubChem (CID 38169110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).