(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone

C16H11BrCl2O — CID 3802471

IUPAC(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
SMILESO=C(c1ccc(Br)cc1)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11BrCl2O/c17-10-3-1-9(2-4-10)16(20)14-8-13(14)12-6-5-11(18)7-15(12)19/h1-7,13-14H,8H2
InChIKeyQAIIYMOYRSEIEW-UHFFFAOYSA-N
MW370.07 g/mol
LogP5.74
Rot. Bonds3

About (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone

(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone (PubChem CID 3802471) has the molecular formula C16H11BrCl2O and a molecular weight of 370.07 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
PubChem CID3802471
Molecular FormulaC16H11BrCl2O
Molecular Weight370.07 g/mol
Exact Mass367.94
IUPAC Name(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
SMILESO=C(c1ccc(Br)cc1)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11BrCl2O/c17-10-3-1-9(2-4-10)16(20)14-8-13(14)12-6-5-11(18)7-15(12)19/h1-7,13-14H,8H2
InChIKeyQAIIYMOYRSEIEW-UHFFFAOYSA-N
XLogP5.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.07
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(NE)-N-[(4-bromophenyl)-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methylidene]hydroxylamine
CID 40782577
trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 97211308
(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone
CID 73098803
4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 97010771
(1S,6S)-6-(2,4-dichlorophenyl)cyclohex-3-ene-1-carboxylic acid
CID 34364287
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
N-(2-amino-1-cyclopropylethyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119613149
cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 97211305
cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 97076000
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570451
2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide
CID 121377084

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone (CID 3802471) is (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone is O=C(c1ccc(Br)cc1)C1CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
The InChIKey is QAIIYMOYRSEIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2O/c17-10-3-1-9(2-4-10)16(20)14-8-13(14)12-6-5-11(18)7-15(12)19/h1-7,13-14H,8H2.
What are the key properties of (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone has a molecular weight of 370.07 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 3802471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).