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

C18H19FN2O2 — CID 17194604

IUPACN-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyFRAQAODNNFWUMF-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.56
Rot. Bonds5

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

N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide (PubChem CID 17194604) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
PubChem CID17194604
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyFRAQAODNNFWUMF-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
CID 26162428
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 36835148
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
CID 39964708
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
CID 87009194
N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
CID 43052510

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide (CID 17194604) is N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is FRAQAODNNFWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide?
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 17194604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).