2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide

C17H17BrClNO — CID 81109561

IUPAC2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17BrClNO/c1-11-7-8-15(18)14(9-11)17(21)20-12(2)10-13-5-3-4-6-16(13)19/h3-9,12H,10H2,1-2H3,(H,20,21)
InChIKeyAYESAHWLBXRVGH-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.77
Rot. Bonds4

About 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide

2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide (PubChem CID 81109561) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide
PubChem CID81109561
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17BrClNO/c1-11-7-8-15(18)14(9-11)17(21)20-12(2)10-13-5-3-4-6-16(13)19/h3-9,12H,10H2,1-2H3,(H,20,21)
InChIKeyAYESAHWLBXRVGH-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(4-chlorophenyl)propan-2-yl]-5-methylbenzamide
CID 81109562
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
CID 43697039
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
N-(1-amino-3-methylbutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111788
6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
CID 61040940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide (CID 81109561) is 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC(C)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide?
The InChIKey is AYESAHWLBXRVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-11-7-8-15(18)14(9-11)17(21)20-12(2)10-13-5-3-4-6-16(13)19/h3-9,12H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide?
2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide has a molecular weight of 366.69 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 81109561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).