ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate

C16H17ClN2O3 — CID 112987218

IUPACethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-3-22-16(20)19-12-6-4-11(5-7-12)18-13-8-9-15(21-2)14(17)10-13/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyWXMGGMZYMBUXSP-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.66
Rot. Bonds5

About ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate

ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate (PubChem CID 112987218) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
PubChem CID112987218
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Nameethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-3-22-16(20)19-12-6-4-11(5-7-12)18-13-8-9-15(21-2)14(17)10-13/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyWXMGGMZYMBUXSP-UHFFFAOYSA-N
XLogP4.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987219
butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
methyl 4-(3-chloro-4-methoxyanilino)benzoate
CID 175119032
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
ethyl 3-(3-chloro-4-methoxyanilino)propanoate
CID 43174181
methyl 3-[4-(ethoxycarbonylamino)anilino]benzoate
CID 112988523
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 795112

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate (CID 112987218) is ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate?
The InChIKey is WXMGGMZYMBUXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-22-16(20)19-12-6-4-11(5-7-12)18-13-8-9-15(21-2)14(17)10-13/h4-10,18H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate?
ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate has a molecular weight of 320.78 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate is sourced from PubChem (CID 112987218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).