2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid

C12H15ClN2O3 — CID 55182543

IUPAC2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid
SMILESCN(c1ccc(C(N)=O)cc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-12(2,11(17)18)15(3)9-5-4-7(10(14)16)6-8(9)13/h4-6H,1-3H3,(H2,14,16)(H,17,18)
InChIKeyWXHGAUROILPQFY-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid

2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid (PubChem CID 55182543) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid
PubChem CID55182543
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid
SMILESCN(c1ccc(C(N)=O)cc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-12(2,11(17)18)15(3)9-5-4-7(10(14)16)6-8(9)13/h4-6H,1-3H3,(H2,14,16)(H,17,18)
InChIKeyWXHGAUROILPQFY-UHFFFAOYSA-N
XLogP1.74
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoyl-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 62819076
2-(4-carbamoyl-2-chloro-N-methylanilino)butanoic acid
CID 55182350
3-chloro-4-hydroxybenzamide
CID 22932347
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
3-chloro-4-iodobenzamide
CID 94675118
4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide
CID 115318126
[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone
CID 162398162
2-[(3-chloro-4-iodobenzoyl)-methylamino]-2-methylpropanoic acid
CID 103219075
3-chloro-4-methylbenzamide;ethane
CID 162191867
3-chloro-N'-hydroxy-4-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzenecarboximidamide
CID 113475743
3-chloro-4-(trifluoromethylsulfonyl)benzamide
CID 57432721
2-(5-carbamoyl-N-ethyl-2-nitroanilino)-2-methylpropanoic acid
CID 82991420

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid?
The IUPAC name of 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid (CID 55182543) is 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid is CN(c1ccc(C(N)=O)cc1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid?
The InChIKey is WXHGAUROILPQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-12(2,11(17)18)15(3)9-5-4-7(10(14)16)6-8(9)13/h4-6H,1-3H3,(H2,14,16)(H,17,18).
What are the key properties of 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid?
2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 55182543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).