3-(3-chloro-N-phenacylanilino)azetidin-2-one

C17H15ClN2O2 — CID 70631840

IUPAC3-(3-chloro-N-phenacylanilino)azetidin-2-one
SMILESO=C(CN(c1cccc(Cl)c1)C1CNC1=O)c1ccccc1
InChIInChI=1S/C17H15ClN2O2/c18-13-7-4-8-14(9-13)20(15-10-19-17(15)22)11-16(21)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,19,22)
InChIKeyDWFCZUDCSFDRBM-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.53
Rot. Bonds5

About 3-(3-chloro-N-phenacylanilino)azetidin-2-one

3-(3-chloro-N-phenacylanilino)azetidin-2-one (PubChem CID 70631840) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-(3-chloro-N-phenacylanilino)azetidin-2-one.

Molecular Properties

Compound Name3-(3-chloro-N-phenacylanilino)azetidin-2-one
PubChem CID70631840
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-(3-chloro-N-phenacylanilino)azetidin-2-one
SMILESO=C(CN(c1cccc(Cl)c1)C1CNC1=O)c1ccccc1
InChIInChI=1S/C17H15ClN2O2/c18-13-7-4-8-14(9-13)20(15-10-19-17(15)22)11-16(21)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,19,22)
InChIKeyDWFCZUDCSFDRBM-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60833680
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2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
CID 60883963
2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
CID 64585605
2-(3-chloro-N-(1,1-dioxothian-4-yl)anilino)acetic acid
CID 65057995
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
CID 142001111
2-[3-chloro-N-(thiolan-3-yl)anilino]acetic acid
CID 65058138
N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide
CID 15446588
2-(3-chloro-N-(4-methylthiolan-3-yl)anilino)acetic acid
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3-chloro-N-hydroxy-N-phenylbenzamide
CID 73332862

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N-phenacylanilino)azetidin-2-one?
The IUPAC name of 3-(3-chloro-N-phenacylanilino)azetidin-2-one (CID 70631840) is 3-(3-chloro-N-phenacylanilino)azetidin-2-one.
What is the SMILES notation for 3-(3-chloro-N-phenacylanilino)azetidin-2-one?
The canonical SMILES for 3-(3-chloro-N-phenacylanilino)azetidin-2-one is O=C(CN(c1cccc(Cl)c1)C1CNC1=O)c1ccccc1.
What is the InChIKey of 3-(3-chloro-N-phenacylanilino)azetidin-2-one?
The InChIKey is DWFCZUDCSFDRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-13-7-4-8-14(9-13)20(15-10-19-17(15)22)11-16(21)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,19,22).
What are the key properties of 3-(3-chloro-N-phenacylanilino)azetidin-2-one?
3-(3-chloro-N-phenacylanilino)azetidin-2-one has a molecular weight of 314.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N-phenacylanilino)azetidin-2-one is sourced from PubChem (CID 70631840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).