tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate

C17H22Cl2N2O3 — CID 78866397

IUPACtert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(NC(=O)C2CC2(Cl)Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H22Cl2N2O3/c1-16(2,3)24-15(23)21(4)10-11-6-5-7-12(8-11)20-14(22)13-9-17(13,18)19/h5-8,13H,9-10H2,1-4H3,(H,20,22)
InChIKeyFQFDRNCIQCUTSL-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate (PubChem CID 78866397) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate
PubChem CID78866397
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Nametert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(NC(=O)C2CC2(Cl)Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H22Cl2N2O3/c1-16(2,3)24-15(23)21(4)10-11-6-5-7-12(8-11)20-14(22)13-9-17(13,18)19/h5-8,13H,9-10H2,1-4H3,(H,20,22)
InChIKeyFQFDRNCIQCUTSL-UHFFFAOYSA-N
XLogP4.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
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CID 55850560
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-[[3-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55850555
tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
CID 107243034
tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
tert-butyl N-[[3-(1,3-benzodioxole-5-carbonylamino)phenyl]methyl]-N-methylcarbamate
CID 55647227
tert-butyl N-methyl-N-[[3-[(2-methyl-5-methylsulfanylbenzoyl)amino]phenyl]methyl]carbamate
CID 55645999
tert-butyl N-[[3-(2,2-dimethoxyethylamino)phenyl]methyl]-N-methylcarbamate
CID 107242997
tert-butyl N-[[3-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 60510983
methyl 2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoate
CID 107243030

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate (CID 78866397) is tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate is CN(Cc1cccc(NC(=O)C2CC2(Cl)Cl)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate?
The InChIKey is FQFDRNCIQCUTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-16(2,3)24-15(23)21(4)10-11-6-5-7-12(8-11)20-14(22)13-9-17(13,18)19/h5-8,13H,9-10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate has a molecular weight of 373.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 78866397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).