(2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid

C13H16ClNO5 — CID 23030580

IUPAC(2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid
SMILESCOCCN(Cc1ccc(C(=O)OC)cc1Cl)C(=O)O
InChIInChI=1S/C13H16ClNO5/c1-19-6-5-15(13(17)18)8-10-4-3-9(7-11(10)14)12(16)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKXRGKPDTLFBGRV-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.25
Rot. Bonds6

About (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid

(2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid (PubChem CID 23030580) has the molecular formula C13H16ClNO5 and a molecular weight of 301.73 g/mol. Its IUPAC name is (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Name(2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid
PubChem CID23030580
Molecular FormulaC13H16ClNO5
Molecular Weight301.73 g/mol
Exact Mass301.07
IUPAC Name(2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid
SMILESCOCCN(Cc1ccc(C(=O)OC)cc1Cl)C(=O)O
InChIInChI=1S/C13H16ClNO5/c1-19-6-5-15(13(17)18)8-10-4-3-9(7-11(10)14)12(16)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKXRGKPDTLFBGRV-UHFFFAOYSA-N
XLogP2.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid?
The IUPAC name of (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid (CID 23030580) is (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid.
What is the SMILES notation for (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid?
The canonical SMILES for (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid is COCCN(Cc1ccc(C(=O)OC)cc1Cl)C(=O)O.
What is the InChIKey of (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid?
The InChIKey is KXRGKPDTLFBGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5/c1-19-6-5-15(13(17)18)8-10-4-3-9(7-11(10)14)12(16)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid?
(2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid has a molecular weight of 301.73 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxycarbonylphenyl)methyl-(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 23030580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).