2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H10ClF3N2O3 — CID 79258723

IUPAC2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClF3N2O3/c12-7-2-1-3-8(4-7)16-10(20)17(5-9(18)19)6-11(13,14)15/h1-4H,5-6H2,(H,16,20)(H,18,19)
InChIKeyXVAXEWKQOJITQD-UHFFFAOYSA-N
MW310.66 g/mol
LogP2.82
Rot. Bonds4

About 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258723) has the molecular formula C11H10ClF3N2O3 and a molecular weight of 310.66 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258723
Molecular FormulaC11H10ClF3N2O3
Molecular Weight310.66 g/mol
Exact Mass310.03
IUPAC Name2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClF3N2O3/c12-7-2-1-3-8(4-7)16-10(20)17(5-9(18)19)6-11(13,14)15/h1-4H,5-6H2,(H,16,20)(H,18,19)
InChIKeyXVAXEWKQOJITQD-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-4-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263446
2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266672
2-[(3-chlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]acetic acid
CID 10713775
2-[[2-(3-chlorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265064
2-[(3-bromo-2-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107627310
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
2-[(2,4-difluorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265443
amino-[(3-chlorophenyl)carbamoyl]carbamic acid
CID 69123745
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
2-[carboxymethyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]acetic acid
CID 63646129
3-[3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340723
N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide
CID 14154828

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258723) is 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XVAXEWKQOJITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3/c12-7-2-1-3-8(4-7)16-10(20)17(5-9(18)19)6-11(13,14)15/h1-4H,5-6H2,(H,16,20)(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.66 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).