2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

C13H17ClN2O3 — CID 65263865

IUPAC2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCc1ccc(NC(=O)CNC(C)(C)C(=O)O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-8-4-5-10(9(14)6-8)16-11(17)7-15-13(2,3)12(18)19/h4-6,15H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHQGTXVPFQQEMPJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.04
Rot. Bonds5

About 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 65263865) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID65263865
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCc1ccc(NC(=O)CNC(C)(C)C(=O)O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-8-4-5-10(9(14)6-8)16-11(17)7-15-13(2,3)12(18)19/h4-6,15H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyHQGTXVPFQQEMPJ-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
3-[(2-chloro-4-methylphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428375
2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79812553
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263564
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 65263865) is 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is Cc1ccc(NC(=O)CNC(C)(C)C(=O)O)c(Cl)c1.
What is the InChIKey of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is HQGTXVPFQQEMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8-4-5-10(9(14)6-8)16-11(17)7-15-13(2,3)12(18)19/h4-6,15H,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 284.74 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65263865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).