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

C18H19BrClNO — CID 113090396

IUPAC2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C18H19BrClNO/c1-18(2,14-7-9-15(20)10-8-14)12-21-17(22)11-13-5-3-4-6-16(13)19/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyQSWWNPTUHLCCRR-UHFFFAOYSA-N
MW380.71 g/mol
LogP4.74
Rot. Bonds5

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

2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide (PubChem CID 113090396) has the molecular formula C18H19BrClNO and a molecular weight of 380.71 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
PubChem CID113090396
Molecular FormulaC18H19BrClNO
Molecular Weight380.71 g/mol
Exact Mass379.03
IUPAC Name2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C18H19BrClNO/c1-18(2,14-7-9-15(20)10-8-14)12-21-17(22)11-13-5-3-4-6-16(13)19/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyQSWWNPTUHLCCRR-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-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide (CID 113090396) is 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)Cc1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
The InChIKey is QSWWNPTUHLCCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO/c1-18(2,14-7-9-15(20)10-8-14)12-21-17(22)11-13-5-3-4-6-16(13)19/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide?
2-(2-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-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 113090396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).