[3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate

C16H14Cl2N2O3 — CID 2739041

IUPAC[3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-20(2)16(22)23-14-5-3-4-13(9-14)19-15(21)10-6-11(17)8-12(18)7-10/h3-9H,1-2H3,(H,19,21)
InChIKeyXMYWEQMGTRXGJK-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.31
Rot. Bonds3

About [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate

[3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate (PubChem CID 2739041) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
PubChem CID2739041
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name[3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-20(2)16(22)23-14-5-3-4-13(9-14)19-15(21)10-6-11(17)8-12(18)7-10/h3-9H,1-2H3,(H,19,21)
InChIKeyXMYWEQMGTRXGJK-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
CID 2739042
3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17133560
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 10971378
3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate
CID 17341925

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate (CID 2739041) is [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
The InChIKey is XMYWEQMGTRXGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-20(2)16(22)23-14-5-3-4-13(9-14)19-15(21)10-6-11(17)8-12(18)7-10/h3-9H,1-2H3,(H,19,21).
What are the key properties of [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate?
[3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate has a molecular weight of 353.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dichlorobenzoyl)amino]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 2739041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).