5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid

C12H15ClN2O3 — CID 61187936

IUPAC5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid
SMILESCC(C)CNC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7(2)6-14-12(18)15-10-4-3-8(13)5-9(10)11(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYBZALNAMHIZRJC-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.82
Rot. Bonds4

About 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid

5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid (PubChem CID 61187936) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid
PubChem CID61187936
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid
SMILESCC(C)CNC(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7(2)6-14-12(18)15-10-4-3-8(13)5-9(10)11(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYBZALNAMHIZRJC-UHFFFAOYSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(4-methylpentylcarbamoylamino)benzoic acid
CID 63548301
5-chloro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]benzoic acid
CID 61203622
5-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61478844
5-chloro-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 61197814
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
5-chloro-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
CID 61470803
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-chlorobenzoic acid
CID 61202417
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
5-chloro-2-(thiophen-3-ylmethylcarbamoylamino)benzoic acid
CID 63244723
5-chloro-2-(3-methylsulfanylpropylcarbamoylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid (CID 61187936) is 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid is CC(C)CNC(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid?
The InChIKey is YBZALNAMHIZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7(2)6-14-12(18)15-10-4-3-8(13)5-9(10)11(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid?
5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61187936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).