2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone

C18H16ClNO — CID 147181912

IUPAC2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(C=C2CNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO/c19-17-7-5-16(6-8-17)18(21)10-14-3-1-13(2-4-14)9-15-11-20-12-15/h1-9,20H,10-12H2
InChIKeyBZTGHQYJFVXONF-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.75
Rot. Bonds4

About 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone

2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone (PubChem CID 147181912) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone
PubChem CID147181912
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(C=C2CNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO/c19-17-7-5-16(6-8-17)18(21)10-14-3-1-13(2-4-14)9-15-11-20-12-15/h1-9,20H,10-12H2
InChIKeyBZTGHQYJFVXONF-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methylidene]azetidine
CID 79879268
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
4-[2-(4-fluorophenyl)acetyl]benzaldehyde
CID 82117645
2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone
CID 63748738
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
2-(4-chlorophenyl)acetate
CID 5460378
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
CID 146593862
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone (CID 147181912) is 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone is O=C(Cc1ccc(C=C2CNC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone?
The InChIKey is BZTGHQYJFVXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-17-7-5-16(6-8-17)18(21)10-14-3-1-13(2-4-14)9-15-11-20-12-15/h1-9,20H,10-12H2.
What are the key properties of 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone?
2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone has a molecular weight of 297.79 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 147181912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).