[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C17H20ClFN2O4 — CID 2477227

IUPAC[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H20ClFN2O4/c18-12-6-7-14(13(19)8-12)21-15(22)10-25-16(23)9-20-17(24)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,20,24)(H,21,22)
InChIKeyGNFMWEIDLROQEH-UHFFFAOYSA-N
MW370.81 g/mol
LogP2.66
Rot. Bonds6

About [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2477227) has the molecular formula C17H20ClFN2O4 and a molecular weight of 370.81 g/mol. Its IUPAC name is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2477227
Molecular FormulaC17H20ClFN2O4
Molecular Weight370.81 g/mol
Exact Mass370.11
IUPAC Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H20ClFN2O4/c18-12-6-7-14(13(19)8-12)21-15(22)10-25-16(23)9-20-17(24)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,20,24)(H,21,22)
InChIKeyGNFMWEIDLROQEH-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate 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

N-{2-[(4-chlorophenyl)amino]-2-oxoethyl}cyclohexanecarboxamide (non-preferred name)
CID 800336
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2355202
[2-(4-Chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2380251
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2380399
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
CID 2547325
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 24686159
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
CID 35647030
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547225
(2-Anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate
CID 2547365
2-[[2-[[4-[[(4-Chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetyl]amino]acetic acid
CID 44234029
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2397680
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 5191970

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2477227) is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is GNFMWEIDLROQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O4/c18-12-6-7-14(13(19)8-12)21-15(22)10-25-16(23)9-20-17(24)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,20,24)(H,21,22).
What are the key properties of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 370.81 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2477227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).