N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide

C16H15BrClNO — CID 174590429

IUPACN-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c1-16(2,13-5-3-4-6-14(13)18)15(20)19-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,19,20)
InChIKeyNEUQUFMGKQNMIQ-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.02
Rot. Bonds3

About N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide

N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide (PubChem CID 174590429) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide
PubChem CID174590429
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c1-16(2,13-5-3-4-6-14(13)18)15(20)19-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,19,20)
InChIKeyNEUQUFMGKQNMIQ-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110464835
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438825
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
CID 166426870
3-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]propanoic acid
CID 119252418
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965727
N-(4-bromophenyl)prop-2-ynamide
CID 43134274
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide (CID 174590429) is N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide?
The InChIKey is NEUQUFMGKQNMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-16(2,13-5-3-4-6-14(13)18)15(20)19-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide?
N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide has a molecular weight of 352.66 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 174590429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).