5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid

C13H14ClNO4 — CID 43406220

IUPAC5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
SMILESCOc1cc(NC(=O)C2CC2C)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H14ClNO4/c1-6-3-7(6)12(16)15-10-5-11(19-2)8(13(17)18)4-9(10)14/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySCOKLLRLPAPTSD-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.64
Rot. Bonds4

About 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid

5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid (PubChem CID 43406220) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
PubChem CID43406220
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
SMILESCOc1cc(NC(=O)C2CC2C)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H14ClNO4/c1-6-3-7(6)12(16)15-10-5-11(19-2)8(13(17)18)4-9(10)14/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySCOKLLRLPAPTSD-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
5-chloro-4-(cyclopropylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 61182662
5-chloro-4-(cyclobutylcarbamoylamino)-2-methoxybenzoic acid
CID 62416581
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid
CID 43614436
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-chloro-2-methoxybenzoic acid
CID 79012377
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
CID 104669440

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid (CID 43406220) is 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid is COc1cc(NC(=O)C2CC2C)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The InChIKey is SCOKLLRLPAPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-6-3-7(6)12(16)15-10-5-11(19-2)8(13(17)18)4-9(10)14/h4-7H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid has a molecular weight of 283.71 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 43406220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).