methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate

C13H14ClNO3 — CID 34159022

IUPACmethyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C)ccc1Cl
InChIInChI=1S/C13H14ClNO3/c1-7-5-9(7)12(16)15-8-3-4-11(14)10(6-8)13(17)18-2/h3-4,6-7,9H,5H2,1-2H3,(H,15,16)/t7-,9+/m1/s1
InChIKeyQBPMBRHBTWZARL-APPZFPTMSA-N
MW267.71 g/mol
LogP2.72
Rot. Bonds3

About methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate

methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate (PubChem CID 34159022) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
PubChem CID34159022
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Namemethyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C)ccc1Cl
InChIInChI=1S/C13H14ClNO3/c1-7-5-9(7)12(16)15-8-3-4-11(14)10(6-8)13(17)18-2/h3-4,6-7,9H,5H2,1-2H3,(H,15,16)/t7-,9+/m1/s1
InChIKeyQBPMBRHBTWZARL-APPZFPTMSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
CID 93366698
methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
CID 84514488
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate
CID 78869714
methyl 2-chloro-5-(cycloheptylcarbamothioylamino)benzoate
CID 100601603

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate (CID 34159022) is methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
The InChIKey is QBPMBRHBTWZARL-APPZFPTMSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-7-5-9(7)12(16)15-8-3-4-11(14)10(6-8)13(17)18-2/h3-4,6-7,9H,5H2,1-2H3,(H,15,16)/t7-,9+/m1/s1.
What are the key properties of methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate?
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate has a molecular weight of 267.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 34159022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).