2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid

C10H12ClNO3 — CID 115171143

IUPAC2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
SMILESCOc1ccc(CCNC(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-15-8-3-2-7(9(11)6-8)4-5-12-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyQTJQDWNRSTTWNK-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid

2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid (PubChem CID 115171143) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
PubChem CID115171143
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
SMILESCOc1ccc(CCNC(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-15-8-3-2-7(9(11)6-8)4-5-12-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyQTJQDWNRSTTWNK-UHFFFAOYSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166424763
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid (CID 115171143) is 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid is COc1ccc(CCNC(=O)O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid?
The InChIKey is QTJQDWNRSTTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-8-3-2-7(9(11)6-8)4-5-12-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid?
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid has a molecular weight of 229.66 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid is sourced from PubChem (CID 115171143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).