N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide

C16H15FN2O2 — CID 67278413

IUPACN-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccccc1F)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H15FN2O2/c1-2-19(12-7-5-6-11(10-12)15(18)20)16(21)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H2,18,20)
InChIKeyBZNKGOLUERIFRU-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.59
Rot. Bonds4

About N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide

N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide (PubChem CID 67278413) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide
PubChem CID67278413
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccccc1F)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H15FN2O2/c1-2-19(12-7-5-6-11(10-12)15(18)20)16(21)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H2,18,20)
InChIKeyBZNKGOLUERIFRU-UHFFFAOYSA-N
XLogP2.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-ethyl-2-fluorobenzamide
CID 167484906
N-ethyl-3-fluoro-2-hydrazinyl-N-(3-methylphenyl)benzamide
CID 62660273
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
2-fluoro-N-[3-(methylamino)phenyl]-N-(2-methylpropyl)benzamide
CID 167484844
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-amino-3-oxoprop-1-en-2-yl)-N-ethyl-2-fluorobenzamide
CID 175462832
2-(2-amino-2-sulfanylideneethyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 94806445
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109057447
methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide (CID 67278413) is N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide is CCN(C(=O)c1ccccc1F)c1cccc(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide?
The InChIKey is BZNKGOLUERIFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-19(12-7-5-6-11(10-12)15(18)20)16(21)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H2,18,20).
What are the key properties of N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide?
N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide has a molecular weight of 286.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 67278413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).