4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide

C25H23ClN2O2 — CID 50821648

IUPAC4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O2/c26-21-10-6-19(7-11-21)23(29)28-22-12-8-20(9-13-22)25(15-16-25)24(30)27-17-14-18-4-2-1-3-5-18/h1-13H,14-17H2,(H,27,30)(H,28,29)
InChIKeyZKJOMNMIHYJESA-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.98
Rot. Bonds7

About 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide

4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821648) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821648
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O2/c26-21-10-6-19(7-11-21)23(29)28-22-12-8-20(9-13-22)25(15-16-25)24(30)27-17-14-18-4-2-1-3-5-18/h1-13H,14-17H2,(H,27,30)(H,28,29)
InChIKeyZKJOMNMIHYJESA-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821534
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821422
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
N-[4-[1-(butylcarbamoyl)cyclopropyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 146062423
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
1-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 69262751
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821647
1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 20972775
1-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 17460142
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821648) is 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide is O=C(Nc1ccc(C2(C(=O)NCCc3ccccc3)CC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is ZKJOMNMIHYJESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c26-21-10-6-19(7-11-21)23(29)28-22-12-8-20(9-13-22)25(15-16-25)24(30)27-17-14-18-4-2-1-3-5-18/h1-13H,14-17H2,(H,27,30)(H,28,29).
What are the key properties of 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide?
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 418.92 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).