2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide

C18H19BrClNO — CID 113090395

IUPAC2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19BrClNO/c1-18(2,14-6-8-16(20)9-7-14)12-21-17(22)11-13-4-3-5-15(19)10-13/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyXUUWCLZHHTZBHY-UHFFFAOYSA-N
MW380.71 g/mol
LogP4.74
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide

2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide (PubChem CID 113090395) has the molecular formula C18H19BrClNO and a molecular weight of 380.71 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
PubChem CID113090395
Molecular FormulaC18H19BrClNO
Molecular Weight380.71 g/mol
Exact Mass379.03
IUPAC Name2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19BrClNO/c1-18(2,14-6-8-16(20)9-7-14)12-21-17(22)11-13-4-3-5-15(19)10-13/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyXUUWCLZHHTZBHY-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.71
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090396
2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
CID 114164473
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
CID 106143575
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide (CID 113090395) is 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)Cc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
The InChIKey is XUUWCLZHHTZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO/c1-18(2,14-6-8-16(20)9-7-14)12-21-17(22)11-13-4-3-5-15(19)10-13/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide has a molecular weight of 380.71 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 113090395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).