N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide

C20H22N2O2 — CID 50821604

IUPACN-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O2/c1-2-14-21-19(24)20(12-13-20)16-8-10-17(11-9-16)22-18(23)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyACZWNBIUQUZZHX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide

N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821604) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821604
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O2/c1-2-14-21-19(24)20(12-13-20)16-8-10-17(11-9-16)22-18(23)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyACZWNBIUQUZZHX-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098
3-methyl-N-[4-[1-(propylcarbamoyl)cyclohexyl]phenyl]benzamide
CID 46384080
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821648
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
N-[4-[1-(butylcarbamoyl)cyclopropyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 146062423
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
3-methyl-N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50822430
3-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 146062393
2-methyl-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821534
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821604) is N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide is CCCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is ACZWNBIUQUZZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-14-21-19(24)20(12-13-20)16-8-10-17(11-9-16)22-18(23)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide?
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).