2-(4-bromophenyl)-2-(2-chloroanilino)butanamide

C16H16BrClN2O — CID 60996452

IUPAC2-(4-bromophenyl)-2-(2-chloroanilino)butanamide
SMILESCCC(Nc1ccccc1Cl)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c1-2-16(15(19)21,11-7-9-12(17)10-8-11)20-14-6-4-3-5-13(14)18/h3-10,20H,2H2,1H3,(H2,19,21)
InChIKeyWSADITLAZGARHP-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.31
Rot. Bonds5

About 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide

2-(4-bromophenyl)-2-(2-chloroanilino)butanamide (PubChem CID 60996452) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-chloroanilino)butanamide
PubChem CID60996452
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name2-(4-bromophenyl)-2-(2-chloroanilino)butanamide
SMILESCCC(Nc1ccccc1Cl)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c1-2-16(15(19)21,11-7-9-12(17)10-8-11)20-14-6-4-3-5-13(14)18/h3-10,20H,2H2,1H3,(H2,19,21)
InChIKeyWSADITLAZGARHP-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
2-(4-chloroanilino)-2-phenylbutanamide
CID 60991020
2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
2-(2-chloroanilino)-2-phenylpropanamide
CID 54891167
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60996840
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580
2-(2-methylanilino)-2-phenylpentanamide
CID 60996445
methyl 2-(4-bromophenyl)-2-(methylamino)butanoate
CID 60787393
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731
2-(2-bromoanilino)-2-methylbutanamide
CID 61006238
methyl 2-(4-bromophenyl)-2-(prop-2-ynylamino)butanoate
CID 62365459

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide?
The IUPAC name of 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide (CID 60996452) is 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide is CCC(Nc1ccccc1Cl)(C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide?
The InChIKey is WSADITLAZGARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-2-16(15(19)21,11-7-9-12(17)10-8-11)20-14-6-4-3-5-13(14)18/h3-10,20H,2H2,1H3,(H2,19,21).
What are the key properties of 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide?
2-(4-bromophenyl)-2-(2-chloroanilino)butanamide has a molecular weight of 367.67 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-chloroanilino)butanamide is sourced from PubChem (CID 60996452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).