tert-butyl N,N-bis(3-chlorophenyl)carbamate

C17H17Cl2NO2 — CID 139244881

IUPACtert-butyl N,N-bis(3-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-17(2,3)22-16(21)20(14-8-4-6-12(18)10-14)15-9-5-7-13(19)11-15/h4-11H,1-3H3
InChIKeyHVEASHGBCJVRMK-UHFFFAOYSA-N
MW338.23 g/mol
LogP6.07
Rot. Bonds2

About tert-butyl N,N-bis(3-chlorophenyl)carbamate

tert-butyl N,N-bis(3-chlorophenyl)carbamate (PubChem CID 139244881) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is tert-butyl N,N-bis(3-chlorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(3-chlorophenyl)carbamate
PubChem CID139244881
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Nametert-butyl N,N-bis(3-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-17(2,3)22-16(21)20(14-8-4-6-12(18)10-14)15-9-5-7-13(19)11-15/h4-11H,1-3H3
InChIKeyHVEASHGBCJVRMK-UHFFFAOYSA-N
XLogP6.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(3-chlorophenyl)-N-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]pyrimidin-5-yl]carbamate
CID 11191202
tert-butyl N-(3-chlorophenyl)-N-[6-(2-iodo-1,3-oxazol-5-yl)pyrazin-2-yl]carbamate
CID 11488891
methyl 4-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-2-carboxylate
CID 21300365
tert-butyl N-amino-N-[3-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamate
CID 70671905
ethyl 5-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrimidin-4-yl]pyridine-3-carboxylate
CID 10139077
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
[4-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]-3-pyridinyl] trifluoromethanesulfonate
CID 21300379
tert-butyl N-[2-[3-chloro-N-(2-isocyanoethyl)anilino]-2-oxoethyl]-N-methylcarbamate
CID 59364383
methyl 5-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]-6-cyanopyridine-3-carboxylate
CID 71048864
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
CID 25209338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(3-chlorophenyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(3-chlorophenyl)carbamate (CID 139244881) is tert-butyl N,N-bis(3-chlorophenyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(3-chlorophenyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(3-chlorophenyl)carbamate is CC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of tert-butyl N,N-bis(3-chlorophenyl)carbamate?
The InChIKey is HVEASHGBCJVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-17(2,3)22-16(21)20(14-8-4-6-12(18)10-14)15-9-5-7-13(19)11-15/h4-11H,1-3H3.
What are the key properties of tert-butyl N,N-bis(3-chlorophenyl)carbamate?
tert-butyl N,N-bis(3-chlorophenyl)carbamate has a molecular weight of 338.23 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(3-chlorophenyl)carbamate is sourced from PubChem (CID 139244881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).