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

C18H18BrNO — CID 166359384

IUPACN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1
InChIInChI=1S/C18H18BrNO/c1-12-6-8-13(9-7-12)10-18(21)20-17-11-15(17)14-4-2-3-5-16(14)19/h2-9,15,17H,10-11H2,1H3,(H,20,21)/t15-,17+/m0/s1
InChIKeyBUQWRUKANVMUFO-DOTOQJQBSA-N
MW344.25 g/mol
LogP3.97
Rot. Bonds4

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

N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide (PubChem CID 166359384) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
PubChem CID166359384
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1
InChIInChI=1S/C18H18BrNO/c1-12-6-8-13(9-7-12)10-18(21)20-17-11-15(17)14-4-2-3-5-16(14)19/h2-9,15,17H,10-11H2,1H3,(H,20,21)/t15-,17+/m0/s1
InChIKeyBUQWRUKANVMUFO-DOTOQJQBSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
CID 100649749
2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110711273
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
sodium 1-[2-[[(1R,2S)-2-(2-bromophenyl)cyclopropyl]amino]-2-oxoethyl]cyclopropane-1-carboxylate
CID 166264480
1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 95934166
3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
CID 86943826
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359291
N-(3-aminocyclobutyl)-2-(4-methylphenyl)acetamide
CID 43594870
N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 146093136
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide (CID 166359384) is N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1.
What is the InChIKey of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
The InChIKey is BUQWRUKANVMUFO-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-12-6-8-13(9-7-12)10-18(21)20-17-11-15(17)14-4-2-3-5-16(14)19/h2-9,15,17H,10-11H2,1H3,(H,20,21)/t15-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide?
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide has a molecular weight of 344.25 g/mol, XLogP of 3.97, 4 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]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 166359384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).