2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid

C12H15ClN2O4 — CID 63723134

IUPAC2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-15(6-7-19-2)12(18)14-9-5-3-4-8(13)10(9)11(16)17/h3-5H,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCXEPKPZMBXMOER-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.15
Rot. Bonds5

About 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid

2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 63723134) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID63723134
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-15(6-7-19-2)12(18)14-9-5-3-4-8(13)10(9)11(16)17/h3-5H,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCXEPKPZMBXMOER-UHFFFAOYSA-N
XLogP2.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 113458477
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 104553093
2-methyl-6-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036613
3,5-dichloro-4-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 82833257
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid (CID 63723134) is 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid is COCCN(C)C(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is CXEPKPZMBXMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-15(6-7-19-2)12(18)14-9-5-3-4-8(13)10(9)11(16)17/h3-5H,6-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 286.72 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63723134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).