3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C15H19FN2O3 — CID 63044439

IUPAC3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCCC(C(=O)O)C1)Nc1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c16-11-4-2-6-13(8-11)18-14(19)9-17-12-5-1-3-10(7-12)15(20)21/h2,4,6,8,10,12,17H,1,3,5,7,9H2,(H,18,19)(H,20,21)
InChIKeyNYHOXCZGLYFWKP-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.00
Rot. Bonds5

About 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63044439) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63044439
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCCC(C(=O)O)C1)Nc1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c16-11-4-2-6-13(8-11)18-14(19)9-17-12-5-1-3-10(7-12)15(20)21/h2,4,6,8,10,12,17H,1,3,5,7,9H2,(H,18,19)(H,20,21)
InChIKeyNYHOXCZGLYFWKP-UHFFFAOYSA-N
XLogP2.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317890
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide
CID 81421882
2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide
CID 43615218
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
2-(cyclopentylamino)-N-(3,5-difluorophenyl)acetamide
CID 60703396
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-[(3-ethylcyclohexyl)amino]-N-(3-methylphenyl)acetamide
CID 64742409
3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549857
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 63044439) is 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is O=C(CNC1CCCC(C(=O)O)C1)Nc1cccc(F)c1.
What is the InChIKey of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NYHOXCZGLYFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-11-4-2-6-13(8-11)18-14(19)9-17-12-5-1-3-10(7-12)15(20)21/h2,4,6,8,10,12,17H,1,3,5,7,9H2,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).