2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid

C19H19F2NO3 — CID 166275778

IUPAC2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid
SMILESCC(C)N(Cc1ccc(F)cc1F)C(=O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C19H19F2NO3/c1-12(2)22(11-15-6-7-16(20)10-17(15)21)19(25)14-5-3-4-13(8-14)9-18(23)24/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)
InChIKeyQWKCQOALWVPQDX-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.64
Rot. Bonds6

About 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid

2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid (PubChem CID 166275778) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid
PubChem CID166275778
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid
SMILESCC(C)N(Cc1ccc(F)cc1F)C(=O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C19H19F2NO3/c1-12(2)22(11-15-6-7-16(20)10-17(15)21)19(25)14-5-3-4-13(8-14)9-18(23)24/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)
InChIKeyQWKCQOALWVPQDX-UHFFFAOYSA-N
XLogP3.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic 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

N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952
2-[[3-[[benzyl(methyl)amino]methyl]benzoyl]-propan-2-ylamino]acetic acid
CID 120580855
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759842
(E)-3-[4-[benzyl(propan-2-yl)carbamoyl]-2-fluorophenyl]prop-2-enoic acid
CID 113227314
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42816411
3-[ethyl-(3-fluorobenzoyl)amino]butanoic acid
CID 62821196

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid (CID 166275778) is 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid is CC(C)N(Cc1ccc(F)cc1F)C(=O)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid?
The InChIKey is QWKCQOALWVPQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-12(2)22(11-15-6-7-16(20)10-17(15)21)19(25)14-5-3-4-13(8-14)9-18(23)24/h3-8,10,12H,9,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid?
2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid has a molecular weight of 347.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-difluorophenyl)methyl-propan-2-ylcarbamoyl]phenyl]acetic acid is sourced from PubChem (CID 166275778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).