methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate

C12H12ClNO3 — CID 141100148

IUPACmethyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate
SMILESCOC(=O)c1c(Cl)cccc1NC(=O)C1CC1
InChIInChI=1S/C12H12ClNO3/c1-17-12(16)10-8(13)3-2-4-9(10)14-11(15)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyMGJRQMNLQIVLCE-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate

methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate (PubChem CID 141100148) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate
PubChem CID141100148
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Namemethyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate
SMILESCOC(=O)c1c(Cl)cccc1NC(=O)C1CC1
InChIInChI=1S/C12H12ClNO3/c1-17-12(16)10-8(13)3-2-4-9(10)14-11(15)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyMGJRQMNLQIVLCE-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromoethyl)-6-(cyclopropanecarbonylamino)benzoate
CID 174527643
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
methyl 2-chloro-6-hydrazinylbenzoate
CID 67291363
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
methyl 2-chloro-6-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 126816599
methyl 2-chloro-6-[(2-cyanoacetyl)amino]benzoate
CID 168520573
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
methyl 4-chloro-3-[(1,1-dioxothiane-4-carbonyl)amino]benzoate
CID 110861821

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate (CID 141100148) is methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate is COC(=O)c1c(Cl)cccc1NC(=O)C1CC1.
What is the InChIKey of methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate?
The InChIKey is MGJRQMNLQIVLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-17-12(16)10-8(13)3-2-4-9(10)14-11(15)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate?
methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate has a molecular weight of 253.68 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 141100148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).