1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid

C17H21FN2O4 — CID 120545034

IUPAC1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccc(F)c1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H21FN2O4/c18-13-6-4-5-12(9-13)15(22)19-10-14(21)20-11-17(16(23)24)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-11H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyWKUZJBNZGIHZEN-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.71
Rot. Bonds6

About 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120545034) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120545034
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CNC(=O)c1cccc(F)c1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H21FN2O4/c18-13-6-4-5-12(9-13)15(22)19-10-14(21)20-11-17(16(23)24)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-11H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyWKUZJBNZGIHZEN-UHFFFAOYSA-N
XLogP1.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 78784195
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
1-[[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544926
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
1-[[(2-bromo-5-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435855
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
methyl 2-[[3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetate
CID 60556072

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120545034) is 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(CNC(=O)c1cccc(F)c1)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WKUZJBNZGIHZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c18-13-6-4-5-12(9-13)15(22)19-10-14(21)20-11-17(16(23)24)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10-11H2,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 336.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).