methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride

C14H18Cl2N2O3 — CID 119329511

IUPACmethyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1Cl.Cl
InChIInChI=1S/C14H17ClN2O3.ClH/c1-20-12(18)10-5-4-9(8-11(10)15)17-13(19)14(16)6-2-3-7-14;/h4-5,8H,2-3,6-7,16H2,1H3,(H,17,19);1H
InChIKeyFXWULJJHEMVOCK-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.76
Rot. Bonds3

About methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride

methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride (PubChem CID 119329511) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
PubChem CID119329511
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Namemethyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1Cl.Cl
InChIInChI=1S/C14H17ClN2O3.ClH/c1-20-12(18)10-5-4-9(8-11(10)15)17-13(19)14(16)6-2-3-7-14;/h4-5,8H,2-3,6-7,16H2,1H3,(H,17,19);1H
InChIKeyFXWULJJHEMVOCK-UHFFFAOYSA-N
XLogP2.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119776899
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1-amino-N-[3-chloro-4-(dimethylamino)phenyl]cyclobutane-1-carboxamide
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CID 43348137

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride?
The IUPAC name of methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride (CID 119329511) is methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride?
The canonical SMILES for methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride is COC(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1Cl.Cl.
What is the InChIKey of methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride?
The InChIKey is FXWULJJHEMVOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3.ClH/c1-20-12(18)10-5-4-9(8-11(10)15)17-13(19)14(16)6-2-3-7-14;/h4-5,8H,2-3,6-7,16H2,1H3,(H,17,19);1H.
What are the key properties of methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride?
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride has a molecular weight of 333.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride is sourced from PubChem (CID 119329511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).