2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid

C12H15ClN2O4 — CID 104553093

IUPAC2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
SMILESCC(CO)N(C)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-7(6-16)15(2)12(19)14-9-5-3-4-8(13)10(9)11(17)18/h3-5,7,16H,6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyDVXKZZNIUDGOMG-UHFFFAOYSA-N
MW286.71 g/mol
LogP1.88
Rot. Bonds4

About 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid

2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 104553093) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
PubChem CID104553093
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
SMILESCC(CO)N(C)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-7(6-16)15(2)12(19)14-9-5-3-4-8(13)10(9)11(17)18/h3-5,7,16H,6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyDVXKZZNIUDGOMG-UHFFFAOYSA-N
XLogP1.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
4-chloro-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426178
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129
2-chloro-6-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 63724324
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid (CID 104553093) is 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid is CC(CO)N(C)C(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is DVXKZZNIUDGOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-7(6-16)15(2)12(19)14-9-5-3-4-8(13)10(9)11(17)18/h3-5,7,16H,6H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid?
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 286.71 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 104553093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).