1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide

C22H25F2N3O2 — CID 134917874

IUPAC1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide
SMILESO=C(CNC(=O)C1(Nc2ccc(F)cc2)CCCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C22H25F2N3O2/c23-16-5-9-18(10-6-16)26-20(28)15-25-21(29)22(13-3-1-2-4-14-22)27-19-11-7-17(24)8-12-19/h5-12,27H,1-4,13-15H2,(H,25,29)(H,26,28)
InChIKeyYTZGGAONPJGRCO-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.22
Rot. Bonds6

About 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide

1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide (PubChem CID 134917874) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide
PubChem CID134917874
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide
SMILESO=C(CNC(=O)C1(Nc2ccc(F)cc2)CCCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C22H25F2N3O2/c23-16-5-9-18(10-6-16)26-20(28)15-25-21(29)22(13-3-1-2-4-14-22)27-19-11-7-17(24)8-12-19/h5-12,27H,1-4,13-15H2,(H,25,29)(H,26,28)
InChIKeyYTZGGAONPJGRCO-UHFFFAOYSA-N
XLogP4.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 134918115
4-[[2-(4-fluoroanilino)-2-oxoethyl]carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146133087
N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222697
2-(cyclooctylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 9265208
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
CID 24647250
2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111733266
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide (CID 134917874) is 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide is O=C(CNC(=O)C1(Nc2ccc(F)cc2)CCCCCC1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide?
The InChIKey is YTZGGAONPJGRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c23-16-5-9-18(10-6-16)26-20(28)15-25-21(29)22(13-3-1-2-4-14-22)27-19-11-7-17(24)8-12-19/h5-12,27H,1-4,13-15H2,(H,25,29)(H,26,28).
What are the key properties of 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide?
1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 134917874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).