methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate

C10H12ClNO4 — CID 17173078

IUPACmethyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C10H12ClNO4/c1-14-8-5-9(15-2)7(4-6(8)11)12-10(13)16-3/h4-5H,1-3H3,(H,12,13)
InChIKeyZDMBFIBGJQILPI-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.54
Rot. Bonds3

About methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate

methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate (PubChem CID 17173078) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
PubChem CID17173078
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Namemethyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C10H12ClNO4/c1-14-8-5-9(15-2)7(4-6(8)11)12-10(13)16-3/h4-5H,1-3H3,(H,12,13)
InChIKeyZDMBFIBGJQILPI-UHFFFAOYSA-N
XLogP2.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 2803499
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 3317523
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 60859836
(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4121365
(E)-4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoate
CID 6928919

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The IUPAC name of methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate (CID 17173078) is methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate is COC(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The InChIKey is ZDMBFIBGJQILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-14-8-5-9(15-2)7(4-6(8)11)12-10(13)16-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate has a molecular weight of 245.66 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 17173078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).