2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid

C11H12ClN3O4 — CID 63723631

IUPAC2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
SMILESCNC(=O)CNC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C11H12ClN3O4/c1-13-8(16)5-14-11(19)15-7-4-2-3-6(12)9(7)10(17)18/h2-4H,5H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyFVLAGXFOCVIZKA-UHFFFAOYSA-N
MW285.69 g/mol
LogP0.91
Rot. Bonds4

About 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid

2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid (PubChem CID 63723631) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
PubChem CID63723631
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
SMILESCNC(=O)CNC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C11H12ClN3O4/c1-13-8(16)5-14-11(19)15-7-4-2-3-6(12)9(7)10(17)18/h2-4H,5H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyFVLAGXFOCVIZKA-UHFFFAOYSA-N
XLogP0.91
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 113458472
2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
2-chloro-6-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 63724324
2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63723980
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-chloro-6-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63925729
2-chloro-6-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 63723969
2-chloro-6-[3-(cyclopropylamino)propylcarbamoylamino]benzoic acid
CID 63722452
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-chloro-6-[[2-(2-fluorophenyl)acetyl]amino]benzoic acid
CID 63723434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid (CID 63723631) is 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid is CNC(=O)CNC(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
The InChIKey is FVLAGXFOCVIZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c1-13-8(16)5-14-11(19)15-7-4-2-3-6(12)9(7)10(17)18/h2-4H,5H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid has a molecular weight of 285.69 g/mol, XLogP of 0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 63723631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).