bis[1-(3-chlorophenyl)cyclopropyl]methanone

C19H16Cl2O — CID 141485401

IUPACbis[1-(3-chlorophenyl)cyclopropyl]methanone
SMILESO=C(C1(c2cccc(Cl)c2)CC1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H16Cl2O/c20-15-5-1-3-13(11-15)18(7-8-18)17(22)19(9-10-19)14-4-2-6-16(21)12-14/h1-6,11-12H,7-10H2
InChIKeyNGVYZLVDEGAPHL-UHFFFAOYSA-N
MW331.24 g/mol
LogP5.33
Rot. Bonds4

About bis[1-(3-chlorophenyl)cyclopropyl]methanone

bis[1-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 141485401) has the molecular formula C19H16Cl2O and a molecular weight of 331.24 g/mol. Its IUPAC name is bis[1-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Namebis[1-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID141485401
Molecular FormulaC19H16Cl2O
Molecular Weight331.24 g/mol
Exact Mass330.06
IUPAC Namebis[1-(3-chlorophenyl)cyclopropyl]methanone
SMILESO=C(C1(c2cccc(Cl)c2)CC1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H16Cl2O/c20-15-5-1-3-13(11-15)18(7-8-18)17(22)19(9-10-19)14-4-2-6-16(21)12-14/h1-6,11-12H,7-10H2
InChIKeyNGVYZLVDEGAPHL-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006156
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559

Frequently Asked Questions

What is the IUPAC name of bis[1-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of bis[1-(3-chlorophenyl)cyclopropyl]methanone (CID 141485401) is bis[1-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for bis[1-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for bis[1-(3-chlorophenyl)cyclopropyl]methanone is O=C(C1(c2cccc(Cl)c2)CC1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of bis[1-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is NGVYZLVDEGAPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O/c20-15-5-1-3-13(11-15)18(7-8-18)17(22)19(9-10-19)14-4-2-6-16(21)12-14/h1-6,11-12H,7-10H2.
What are the key properties of bis[1-(3-chlorophenyl)cyclopropyl]methanone?
bis[1-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 331.24 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 141485401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).