2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid

C19H20F2N2O4 — CID 10619640

IUPAC2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1)C(=O)O
InChIInChI=1S/C19H20F2N2O4/c1-19(2,17(24)25)27-14-6-3-12(4-7-14)9-10-22-18(26)23-16-8-5-13(20)11-15(16)21/h3-8,11H,9-10H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyAVPMMMVBINGBQP-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.57
Rot. Bonds7

About 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid

2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid (PubChem CID 10619640) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
PubChem CID10619640
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1)C(=O)O
InChIInChI=1S/C19H20F2N2O4/c1-19(2,17(24)25)27-14-6-3-12(4-7-14)9-10-22-18(26)23-16-8-5-13(20)11-15(16)21/h3-8,11H,9-10H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyAVPMMMVBINGBQP-UHFFFAOYSA-N
XLogP3.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 22924113
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
2-[4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 21322660
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
2-[4-[2-(3,5-dimethylanilino)ethyl]phenoxy]-2-methylpropanoic acid
CID 67811284
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid (CID 10619640) is 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1)C(=O)O.
What is the InChIKey of 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is AVPMMMVBINGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-19(2,17(24)25)27-14-6-3-12(4-7-14)9-10-22-18(26)23-16-8-5-13(20)11-15(16)21/h3-8,11H,9-10H2,1-2H3,(H,24,25)(H2,22,23,26).
What are the key properties of 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 378.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 10619640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).