2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid

C23H26FNO4 — CID 73054545

IUPAC2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccc(OC(=O)NCC3CCCCC3)c2)c(F)c1
InChIInChI=1S/C23H26FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyPOKUGOBRBBWQSC-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.35
Rot. Bonds6

About 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid

2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid (PubChem CID 73054545) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid
PubChem CID73054545
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccc(OC(=O)NCC3CCCCC3)c2)c(F)c1
InChIInChI=1S/C23H26FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyPOKUGOBRBBWQSC-UHFFFAOYSA-N
XLogP5.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid 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

(2S)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid
CID 117072556
Cyclohexylcarbamic acid biphenyl-3-yl ester
CID 10108554
FAAH/COX inhibitor ARN2508
CID 72792469
(2R)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid
CID 117072557
Cyclohexyl-carbamic acid 3''''-fluoro-biphenyl-3-yl ester
CID 11174440
Cyclohexyl-carbamic acid 4''''-fluoro-biphenyl-3-yl ester
CID 11347517
Cyclohexyl-carbamic acid 4''''-methyl-biphenyl-3-yl ester
CID 11472363
Cyclohexylmethylcarbamic Acid Biphenyl-3-yl Ester
CID 24881675
4-[[(2R)-1-carboxy-3-[4-[3-(trifluoromethoxy)phenyl]phenyl]propan-2-yl]amino]-4-oxobutanoic acid
CID 59607750
4-[[(2R)-1-carboxy-3-[4-(3-methoxyphenyl)phenyl]propan-2-yl]amino]-4-oxobutanoic acid
CID 59607793
2-[4-[3-(2-Cyclohexylethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid
CID 73054546
2-[3-Fluoro-4-[3-(2-phenylethylcarbamoyloxy)phenyl]phenyl]propanoic acid
CID 73054548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid?
The IUPAC name of 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid (CID 73054545) is 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid.
What is the SMILES notation for 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid?
The canonical SMILES for 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2cccc(OC(=O)NCC3CCCCC3)c2)c(F)c1.
What is the InChIKey of 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid?
The InChIKey is POKUGOBRBBWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-15(22(26)27)17-10-11-20(21(24)13-17)18-8-5-9-19(12-18)29-23(28)25-14-16-6-3-2-4-7-16/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid?
2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid has a molecular weight of 399.46 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclohexylmethylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoic acid is sourced from PubChem (CID 73054545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).