2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid

C11H11ClF2N2O3 — CID 115408035

IUPAC2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)NCC(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF2N2O3/c12-7-1-3-8(4-2-7)16(6-10(17)18)11(19)15-5-9(13)14/h1-4,9H,5-6H2,(H,15,19)(H,17,18)
InChIKeyAWNBMXMPBMJFAE-UHFFFAOYSA-N
MW292.67 g/mol
LogP2.21
Rot. Bonds5

About 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid

2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid (PubChem CID 115408035) has the molecular formula C11H11ClF2N2O3 and a molecular weight of 292.67 g/mol. Its IUPAC name is 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid
PubChem CID115408035
Molecular FormulaC11H11ClF2N2O3
Molecular Weight292.67 g/mol
Exact Mass292.04
IUPAC Name2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)NCC(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF2N2O3/c12-7-1-3-8(4-2-7)16(6-10(17)18)11(19)15-5-9(13)14/h1-4,9H,5-6H2,(H,15,19)(H,17,18)
InChIKeyAWNBMXMPBMJFAE-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187
2-[4-chloro-N-(3,3,3-trifluoropropylcarbamoyl)anilino]acetic acid
CID 63227860
2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
3-amino-4-[N-(carboxymethyl)-4-chloroanilino]-4-oxobutanoic acid
CID 64894572
2-[4-chloro-N-(thiolan-2-ylmethylcarbamoyl)anilino]acetic acid
CID 80584033
2-[4-chloro-N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66354817
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
CID 61162445
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid (CID 115408035) is 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid is O=C(O)CN(C(=O)NCC(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid?
The InChIKey is AWNBMXMPBMJFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O3/c12-7-1-3-8(4-2-7)16(6-10(17)18)11(19)15-5-9(13)14/h1-4,9H,5-6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid?
2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid has a molecular weight of 292.67 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 115408035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).