methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate

C19H25FN2O4 — CID 108767543

IUPACmethyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c1-26-19(25)16-5-3-2-4-13(16)12-21-17(23)10-11-18(24)22-15-8-6-14(20)7-9-15/h6-9,13,16H,2-5,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDLDDPEMBLJWQTR-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.64
Rot. Bonds7

About methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108767543) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID108767543
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Namemethyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c1-26-19(25)16-5-3-2-4-13(16)12-21-17(23)10-11-18(24)22-15-8-6-14(20)7-9-15/h6-9,13,16H,2-5,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDLDDPEMBLJWQTR-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745294
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
CID 108783643
methyl 2-[[(5-oxo-5-phenylpentanoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745297
methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 71117303
cis-methyl (1R,2S)-2-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 71117304
trans-(1S,2R)-2-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755751
methyl 2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767526
methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745251
methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767585
N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide
CID 108754190
methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108767495
methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767618

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate (CID 108767543) is methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)CCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is DLDDPEMBLJWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-26-19(25)16-5-3-2-4-13(16)12-21-17(23)10-11-18(24)22-15-8-6-14(20)7-9-15/h6-9,13,16H,2-5,10-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108767543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).