tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate

C17H18Cl2N2O2 — CID 91756732

IUPACtert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate
SMILESCc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-7-8-20-15(9-11)21(16(22)23-17(2,3)4)14-6-5-12(18)10-13(14)19/h5-10H,1-4H3
InChIKeyUAIOSMYVNBKQNI-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.77
Rot. Bonds2

About tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate

tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate (PubChem CID 91756732) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate
PubChem CID91756732
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Nametert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate
SMILESCc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-7-8-20-15(9-11)21(16(22)23-17(2,3)4)14-6-5-12(18)10-13(14)19/h5-10H,1-4H3
InChIKeyUAIOSMYVNBKQNI-UHFFFAOYSA-N
XLogP5.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 91756539
tert-butyl N-(3-iodophenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 53414515
tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate
CID 141413175
[(4-chloro-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl acetate
CID 151937119
tert-butyl N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 124679950
[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpyrazol-3-yl)amino]-4-pyridinyl]boronic acid
CID 163480762
tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 124679952
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 53414297
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
tert-butyl N-(5-chloro-2-methylphenyl)-N-(2-methylprop-2-enyl)carbamate;ethane
CID 144619806
tert-butyl 5-[(2-chloropyrimidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-fluoroindazole-1-carboxylate
CID 90095744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate (CID 91756732) is tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate is Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate?
The InChIKey is UAIOSMYVNBKQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11-7-8-20-15(9-11)21(16(22)23-17(2,3)4)14-6-5-12(18)10-13(14)19/h5-10H,1-4H3.
What are the key properties of tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate?
tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate has a molecular weight of 353.25 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 91756732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).