[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid

C16H21FN2O3 — CID 67223877

IUPAC[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
SMILESCC(NC(=O)C1CCC(NC(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-10(11-2-6-13(17)7-3-11)18-15(20)12-4-8-14(9-5-12)19-16(21)22/h2-3,6-7,10,12,14,19H,4-5,8-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyIHICJKMSYFNJHP-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.83
Rot. Bonds4

About [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid

[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid (PubChem CID 67223877) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
PubChem CID67223877
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
SMILESCC(NC(=O)C1CCC(NC(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-10(11-2-6-13(17)7-3-11)18-15(20)12-4-8-14(9-5-12)19-16(21)22/h2-3,6-7,10,12,14,19H,4-5,8-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyIHICJKMSYFNJHP-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 169417249
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783147
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
4-[(4-acetamido-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 53239403
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292025
N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 76743565

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid (CID 67223877) is [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid is CC(NC(=O)C1CCC(NC(=O)O)CC1)c1ccc(F)cc1.
What is the InChIKey of [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid?
The InChIKey is IHICJKMSYFNJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-10(11-2-6-13(17)7-3-11)18-15(20)12-4-8-14(9-5-12)19-16(21)22/h2-3,6-7,10,12,14,19H,4-5,8-9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid?
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid has a molecular weight of 308.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 67223877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).