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

C26H25ClN2O2 — CID 50821422

IUPAC2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1)c1ccccc1Cl
InChIInChI=1S/C26H25ClN2O2/c27-23-11-5-4-10-22(23)24(30)29-21-14-12-20(13-15-21)26(16-17-26)25(31)28-18-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-15H,6,9,16-18H2,(H,28,31)(H,29,30)
InChIKeyVOPMBIGDDLBGFR-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.37
Rot. Bonds8

About 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide

2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821422) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821422
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1)c1ccccc1Cl
InChIInChI=1S/C26H25ClN2O2/c27-23-11-5-4-10-22(23)24(30)29-21-14-12-20(13-15-21)26(16-17-26)25(31)28-18-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-15H,6,9,16-18H2,(H,28,31)(H,29,30)
InChIKeyVOPMBIGDDLBGFR-UHFFFAOYSA-N
XLogP5.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821534
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821648
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 20971650
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 20972775
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
N-[4-[1-(butylcarbamoyl)cyclopropyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 146062423
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 50822322
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821422) is 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide is O=C(Nc1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is VOPMBIGDDLBGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c27-23-11-5-4-10-22(23)24(30)29-21-14-12-20(13-15-21)26(16-17-26)25(31)28-18-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-15H,6,9,16-18H2,(H,28,31)(H,29,30).
What are the key properties of 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 432.95 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).