3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide

C24H29ClN2O — CID 159466625

IUPAC3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CC(CCC3CC3c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C24H29ClN2O/c1-16(2)26-24(28)20-10-11-23(22(25)13-20)27-14-17(15-27)8-9-19-12-21(19)18-6-4-3-5-7-18/h3-7,10-11,13,16-17,19,21H,8-9,12,14-15H2,1-2H3,(H,26,28)
InChIKeyLVGOFZMDWXWQHJ-UHFFFAOYSA-N
MW396.96 g/mol
LogP5.50
Rot. Bonds7

About 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide

3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide (PubChem CID 159466625) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
PubChem CID159466625
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC Name3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CC(CCC3CC3c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C24H29ClN2O/c1-16(2)26-24(28)20-10-11-23(22(25)13-20)27-14-17(15-27)8-9-19-12-21(19)18-6-4-3-5-7-18/h3-7,10-11,13,16-17,19,21H,8-9,12,14-15H2,1-2H3,(H,26,28)
InChIKeyLVGOFZMDWXWQHJ-UHFFFAOYSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide
CID 148955217
2-chloro-5-fluoro-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]-N-propan-2-ylbenzamide
CID 118290463
4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide
CID 91508889
1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxylic acid
CID 122048628
(3S)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 97062321
(3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 97062320
3,4-dichloro-N-[(2S)-7-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxoheptan-2-yl]benzamide
CID 159527879
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
CID 147032843
1-[3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]ethanone
CID 106669916
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide (CID 159466625) is 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N2CC(CCC3CC3c3ccccc3)C2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is LVGOFZMDWXWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O/c1-16(2)26-24(28)20-10-11-23(22(25)13-20)27-14-17(15-27)8-9-19-12-21(19)18-6-4-3-5-7-18/h3-7,10-11,13,16-17,19,21H,8-9,12,14-15H2,1-2H3,(H,26,28).
What are the key properties of 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide?
3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 396.96 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 159466625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).