methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate

C16H14Cl2N2O3 — CID 60533156

IUPACmethyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)20-11-5-2-4-10(8-11)19-15(21)9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyUACVVYOSWDZKQK-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.35
Rot. Bonds4

About methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate

methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate (PubChem CID 60533156) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
PubChem CID60533156
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Namemethyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)20-11-5-2-4-10(8-11)19-15(21)9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyUACVVYOSWDZKQK-UHFFFAOYSA-N
XLogP4.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methoxyphenyl]carbamate
CID 55654801
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 134062889
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 3380579
methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate
CID 60927446
2-(2,6-dichlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18103957
methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate
CID 103697060
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate (CID 60533156) is methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate?
The InChIKey is UACVVYOSWDZKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-16(22)20-11-5-2-4-10(8-11)19-15(21)9-12-13(17)6-3-7-14(12)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate?
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate has a molecular weight of 353.21 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 60533156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).