methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate

C15H18ClNO2 — CID 63428139

IUPACmethyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC1CC2CCC1C2
InChIInChI=1S/C15H18ClNO2/c1-19-15(18)12-8-11(16)4-5-13(12)17-14-7-9-2-3-10(14)6-9/h4-5,8-10,14,17H,2-3,6-7H2,1H3
InChIKeyXRHWHVZLSBARBE-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.73
Rot. Bonds3

About methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate

methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate (PubChem CID 63428139) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate
PubChem CID63428139
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Namemethyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC1CC2CCC1C2
InChIInChI=1S/C15H18ClNO2/c1-19-15(18)12-8-11(16)4-5-13(12)17-14-7-9-2-3-10(14)6-9/h4-5,8-10,14,17H,2-3,6-7H2,1H3
InChIKeyXRHWHVZLSBARBE-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate with MolForge

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Related Compounds

methyl 3-(2-bicyclo[2.2.1]heptanylamino)-4-fluorobenzoate
CID 61308025
methyl 5-chloro-2-[(3,4-dimethylcyclohexyl)amino]benzoate
CID 64733383
ethyl 2-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 63423536
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-2-fluorophenyl)acetamide
CID 100581281
methyl 5-chloro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907432
ethyl 4-amino-3-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 82796182
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1338660
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324
N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine
CID 63445286
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-chlorobenzoic acid
CID 43078867
4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide
CID 61309173

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate?
The IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate (CID 63428139) is methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate.
What is the SMILES notation for methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate?
The canonical SMILES for methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1NC1CC2CCC1C2.
What is the InChIKey of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate?
The InChIKey is XRHWHVZLSBARBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-19-15(18)12-8-11(16)4-5-13(12)17-14-7-9-2-3-10(14)6-9/h4-5,8-10,14,17H,2-3,6-7H2,1H3.
What are the key properties of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate?
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate has a molecular weight of 279.77 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate is sourced from PubChem (CID 63428139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).