3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide

C19H19ClN2O2 — CID 50821535

IUPAC3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H19ClN2O2/c1-2-21-18(24)19(10-11-19)14-6-8-16(9-7-14)22-17(23)13-4-3-5-15(20)12-13/h3-9,12H,2,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyIBLHJMCTDODKKY-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.76
Rot. Bonds5

About 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide

3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821535) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821535
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H19ClN2O2/c1-2-21-18(24)19(10-11-19)14-6-8-16(9-7-14)22-17(23)13-4-3-5-15(20)12-13/h3-9,12H,2,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyIBLHJMCTDODKKY-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
3-chloro-N-[4-[1-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138543845
3-chloro-N-[4-[1-(phenylsulfanylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 170106617
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]-3-hydroxy-3-methylcyclobutyl]phenyl]benzamide
CID 138554359
3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
CID 46384080
3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50822430
3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 138543840
N-[4-[1-(cyclohexylmethylcarbamoyl)cyclopropyl]phenyl]-3-methylbenzamide
CID 50821467
3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide
CID 155074435
3-chloro-N-(4-methylphenyl)benzamide
CID 722375

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821535) is 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide is CCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1.
What is the InChIKey of 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is IBLHJMCTDODKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-21-18(24)19(10-11-19)14-6-8-16(9-7-14)22-17(23)13-4-3-5-15(20)12-13/h3-9,12H,2,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide?
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.76, 5 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-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).