3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide

C18H19FN2O2 — CID 109051535

IUPAC3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-12(2)20-17(22)13-7-6-8-14(11-13)18(23)21-16-10-5-4-9-15(16)19/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyULOPUQXAGJEIAA-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.61
Rot. Bonds5

About 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide

3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109051535) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109051535
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-12(2)20-17(22)13-7-6-8-14(11-13)18(23)21-16-10-5-4-9-15(16)19/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyULOPUQXAGJEIAA-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109051525
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109225415
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide (CID 109051535) is 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide is CCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is ULOPUQXAGJEIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-12(2)20-17(22)13-7-6-8-14(11-13)18(23)21-16-10-5-4-9-15(16)19/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).