3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide

C17H16F2N2O2 — CID 8750781

IUPAC3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H16F2N2O2/c1-2-7-20-17(23)14-5-3-4-6-15(14)21-16(22)11-8-12(18)10-13(19)9-11/h3-6,8-10H,2,7H2,1H3,(H,20,23)(H,21,22)
InChIKeyFAYSROUFFJYDBY-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.36
Rot. Bonds5

About 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide

3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide (PubChem CID 8750781) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
PubChem CID8750781
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C17H16F2N2O2/c1-2-7-20-17(23)14-5-3-4-6-15(14)21-16(22)11-8-12(18)10-13(19)9-11/h3-6,8-10H,2,7H2,1H3,(H,20,23)(H,21,22)
InChIKeyFAYSROUFFJYDBY-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
N-[2-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 34751154
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide (CID 8750781) is 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccccc1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is FAYSROUFFJYDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-2-7-20-17(23)14-5-3-4-6-15(14)21-16(22)11-8-12(18)10-13(19)9-11/h3-6,8-10H,2,7H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide?
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 8750781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).