2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid

C14H18Cl2N2O3 — CID 62821132

IUPAC2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C14H18Cl2N2O3/c1-4-18(14(2,3)13(20)21)8-11(19)17-10-7-5-6-9(15)12(10)16/h5-7H,4,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyYEWWCXPBDOVJBA-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.12
Rot. Bonds6

About 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid

2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62821132) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62821132
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C14H18Cl2N2O3/c1-4-18(14(2,3)13(20)21)8-11(19)17-10-7-5-6-9(15)12(10)16/h5-7H,4,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyYEWWCXPBDOVJBA-UHFFFAOYSA-N
XLogP3.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821189
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822338
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965784
2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid
CID 79268949
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735
2-[tert-butyl-[(2,3-dichlorophenyl)carbamoyl]amino]acetic acid
CID 79256587
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
2-[acetyl(propan-2-yl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158283
N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 114230839

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (CID 62821132) is 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is YEWWCXPBDOVJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-4-18(14(2,3)13(20)21)8-11(19)17-10-7-5-6-9(15)12(10)16/h5-7H,4,8H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 333.22 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).