N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide

C17H16BrNO — CID 100649749

IUPACN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1
InChIInChI=1S/C17H16BrNO/c1-11-6-8-12(9-7-11)17(20)19-16-10-14(16)13-4-2-3-5-15(13)18/h2-9,14,16H,10H2,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyILQFJXVYYPQLKD-GOEBONIOSA-N
MW330.23 g/mol
LogP4.04
Rot. Bonds3

About N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide

N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide (PubChem CID 100649749) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
PubChem CID100649749
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC NameN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1
InChIInChI=1S/C17H16BrNO/c1-11-6-8-12(9-7-11)17(20)19-16-10-14(16)13-4-2-3-5-15(13)18/h2-9,14,16H,10H2,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyILQFJXVYYPQLKD-GOEBONIOSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
CID 166359384
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-(dimethylsulfamoyl)benzamide
CID 139010390
4-methyl-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711228
N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide
CID 95295464
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide
CID 139010394
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 95934166
sodium 1-[2-[[(1R,2S)-2-(2-bromophenyl)cyclopropyl]amino]-2-oxoethyl]cyclopropane-1-carboxylate
CID 166264480
methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 85264672
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 136581509
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide?
The IUPAC name of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide (CID 100649749) is N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1.
What is the InChIKey of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide?
The InChIKey is ILQFJXVYYPQLKD-GOEBONIOSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-6-8-12(9-7-11)17(20)19-16-10-14(16)13-4-2-3-5-15(13)18/h2-9,14,16H,10H2,1H3,(H,19,20)/t14-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide?
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide has a molecular weight of 330.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide is sourced from PubChem (CID 100649749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).