N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide

C20H23FN2O2 — CID 26162428

IUPACN-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-3-12-23(13-4-2)20(25)15-8-7-9-16(14-15)22-19(24)17-10-5-6-11-18(17)21/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyMQRLBBBPJDFILE-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.34
Rot. Bonds7

About N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide

N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide (PubChem CID 26162428) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
PubChem CID26162428
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-3-12-23(13-4-2)20(25)15-8-7-9-16(14-15)22-19(24)17-10-5-6-11-18(17)21/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyMQRLBBBPJDFILE-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
CID 26162225
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
3-benzamido-N,N-dibutylbenzamide
CID 4270775
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide (CID 26162428) is N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is MQRLBBBPJDFILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-12-23(13-4-2)20(25)15-8-7-9-16(14-15)22-19(24)17-10-5-6-11-18(17)21/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide?
N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 342.41 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 26162428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).