3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide

C21H23ClN2O2 — CID 146018272

IUPAC3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1
InChIInChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyUIZYWUYIFDOVIY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.54
Rot. Bonds6

About 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide

3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide (PubChem CID 146018272) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
PubChem CID146018272
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1
InChIInChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyUIZYWUYIFDOVIY-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 200017
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
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Benzamide, N-(2-chlorophenyl)-4-(1,1-dimethylethyl)-
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4-(tert-Butyl)-N-[2-chloro-4-(methylsulfonamido)benzyl]benzamide
CID 137631891
3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138544339
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
4-chloro-N-(4-methylphenyl)benzamide
CID 346691
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
1-{4-[4-(3-Chlorobenzoyl)piperazin-1-Yl]phenyl}ethanone
CID 8866783
(2S)-N-{2-[(4-chlorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648347
3-Chloro-N-(2-Methoxyethyl)-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)benzamide
CID 71576803
3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide
CID 154573629

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide (CID 146018272) is 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide is CCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1.
What is the InChIKey of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The InChIKey is UIZYWUYIFDOVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 146018272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).