2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide

C14H10BrClF2N2O — CID 106528880

IUPAC2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccc(Cl)c(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrClF2N2O/c15-11-6-10(1-2-12(11)16)20-13(14(19)21)7-3-8(17)5-9(18)4-7/h1-6,13,20H,(H2,19,21)
InChIKeyAURBEUNZYMAMME-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide

2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide (PubChem CID 106528880) has the molecular formula C14H10BrClF2N2O and a molecular weight of 375.60 g/mol. Its IUPAC name is 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
PubChem CID106528880
Molecular FormulaC14H10BrClF2N2O
Molecular Weight375.60 g/mol
Exact Mass373.96
IUPAC Name2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
SMILESNC(=O)C(Nc1ccc(Cl)c(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrClF2N2O/c15-11-6-10(1-2-12(11)16)20-13(14(19)21)7-3-8(17)5-9(18)4-7/h1-6,13,20H,(H2,19,21)
InChIKeyAURBEUNZYMAMME-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-fluorophenyl)acetamide
CID 81146753
2-(3-bromo-4-chloroanilino)-2-(3-chloro-5-fluorophenyl)acetic acid
CID 114453619
2-(3-bromo-4-chloroanilino)-2-(4-chloro-2-fluorophenyl)acetamide
CID 114843602
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
methyl 2-(3-bromo-4-chlorophenyl)-2-(4-fluoroanilino)acetate
CID 83233258
2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 66480971
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 97055135
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79041273
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide (CID 106528880) is 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide is NC(=O)C(Nc1ccc(Cl)c(Br)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide?
The InChIKey is AURBEUNZYMAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N2O/c15-11-6-10(1-2-12(11)16)20-13(14(19)21)7-3-8(17)5-9(18)4-7/h1-6,13,20H,(H2,19,21).
What are the key properties of 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide?
2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide has a molecular weight of 375.60 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 106528880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).