2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid

C14H18Cl2N2O3 — CID 115430752

IUPAC2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C14H18Cl2N2O3/c1-3-14(4-2,12(19)20)8-17-13(21)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyKYOLTAIHSGRFHN-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.01
Rot. Bonds6

About 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid

2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid (PubChem CID 115430752) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid
PubChem CID115430752
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C14H18Cl2N2O3/c1-3-14(4-2,12(19)20)8-17-13(21)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4,8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyKYOLTAIHSGRFHN-UHFFFAOYSA-N
XLogP4.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429513
2-[[(4-bromo-2-fluorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115430757
2-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115429858
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369
2-ethyl-2-[[(4-fluoro-3-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 115431128
3-[(2-chloro-4-methylphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428375
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
2-[[(2-bromo-4-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 107986918
4-[(2,4-dichlorophenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300019
1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea
CID 3301738
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid (CID 115430752) is 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid?
The InChIKey is KYOLTAIHSGRFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-3-14(4-2,12(19)20)8-17-13(21)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4,8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid?
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid has a molecular weight of 333.22 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).