2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid

C12H14ClNO3 — CID 28765640

IUPAC2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid
SMILESCC(C)C(=O)N(CC(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-8(2)12(17)14(7-11(15)16)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyRFCYCBAHHGIMGM-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.41
Rot. Bonds4

About 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid

2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid (PubChem CID 28765640) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid
PubChem CID28765640
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid
SMILESCC(C)C(=O)N(CC(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-8(2)12(17)14(7-11(15)16)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyRFCYCBAHHGIMGM-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-chloro-N-(2-methylpropanoyl)anilino]propanoic acid
CID 28764433
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
CID 13258029
2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171103
N-(chloromethyl)-N-(2-chlorophenyl)carbamoyl chloride
CID 13195554
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
CID 136560023
3-[N-(1-carboxyethyl)-2-chloroanilino]-2-methylpropanoic acid
CID 82317218
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid?
The IUPAC name of 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid (CID 28765640) is 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid?
The canonical SMILES for 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid is CC(C)C(=O)N(CC(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid?
The InChIKey is RFCYCBAHHGIMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8(2)12(17)14(7-11(15)16)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid?
2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid has a molecular weight of 255.70 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid is sourced from PubChem (CID 28765640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).