5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid

C15H21FN2O3 — CID 82847956

IUPAC5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
SMILESCCN(C(=O)NC(C)CCCC(=O)O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-3-18(13-9-5-4-8-12(13)16)15(21)17-11(2)7-6-10-14(19)20/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKLJWEDJRSBDVMQ-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.01
Rot. Bonds7

About 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid

5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid (PubChem CID 82847956) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
PubChem CID82847956
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
SMILESCCN(C(=O)NC(C)CCCC(=O)O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-3-18(13-9-5-4-8-12(13)16)15(21)17-11(2)7-6-10-14(19)20/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKLJWEDJRSBDVMQ-UHFFFAOYSA-N
XLogP3.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl-(2-fluorophenyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541846
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 82846735
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid
CID 62827357
2-[[[ethyl-(2-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222142
N-ethyl-N-(2-fluorophenyl)-4-hydroxypentanamide
CID 79192047
3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
CID 100657823
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid (CID 82847956) is 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid is CCN(C(=O)NC(C)CCCC(=O)O)c1ccccc1F.
What is the InChIKey of 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid?
The InChIKey is KLJWEDJRSBDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-18(13-9-5-4-8-12(13)16)15(21)17-11(2)7-6-10-14(19)20/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid?
5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid has a molecular weight of 296.34 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82847956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).