2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid

C24H21Cl2N3O4 — CID 59150959

IUPAC2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C24H21Cl2N3O4/c1-24(2,22(31)32)29-21(30)16-8-6-14(7-9-16)15-10-12-17(13-11-15)27-23(33)28-19-5-3-4-18(25)20(19)26/h3-13H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)
InChIKeyFNDCQQZWXKHGPK-UHFFFAOYSA-N
MW486.36 g/mol
LogP5.90
Rot. Bonds6

About 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid

2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid (PubChem CID 59150959) has the molecular formula C24H21Cl2N3O4 and a molecular weight of 486.36 g/mol. Its IUPAC name is 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid
PubChem CID59150959
Molecular FormulaC24H21Cl2N3O4
Molecular Weight486.36 g/mol
Exact Mass485.09
IUPAC Name2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C24H21Cl2N3O4/c1-24(2,22(31)32)29-21(30)16-8-6-14(7-9-16)15-10-12-17(13-11-15)27-23(33)28-19-5-3-4-18(25)20(19)26/h3-13H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)
InChIKeyFNDCQQZWXKHGPK-UHFFFAOYSA-N
XLogP5.90
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.36
LogP ≤ 55.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[4-[(2,3-dimethylphenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid
CID 59150838
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
(2S)-2-[[5-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 71535925
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,3-dichlorophenyl)urea
CID 108873170
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 126181507
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
1-[benzoyl(tert-butyl)amino]-3-(2,3-dichlorophenyl)urea
CID 134112185
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide
CID 38950553

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid (CID 59150959) is 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is FNDCQQZWXKHGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O4/c1-24(2,22(31)32)29-21(30)16-8-6-14(7-9-16)15-10-12-17(13-11-15)27-23(33)28-19-5-3-4-18(25)20(19)26/h3-13H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33).
What are the key properties of 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid?
2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 486.36 g/mol, XLogP of 5.90, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 59150959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).