tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate

C18H21FN2O2 — CID 91756539

IUPACtert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate
SMILESCc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-12-6-7-15(14(19)10-12)21(17(22)23-18(3,4)5)16-11-13(2)8-9-20-16/h6-11H,1-5H3
InChIKeyNQQJZKXXROEFMJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.91
Rot. Bonds2

About tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate

tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate (PubChem CID 91756539) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate
PubChem CID91756539
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Nametert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate
SMILESCc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-12-6-7-15(14(19)10-12)21(17(22)23-18(3,4)5)16-11-13(2)8-9-20-16/h6-11H,1-5H3
InChIKeyNQQJZKXXROEFMJ-UHFFFAOYSA-N
XLogP4.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 91756732
tert-butyl N-(3-iodophenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 53414515
tert-butyl 5-[(2-chloropyrimidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-fluoroindazole-1-carboxylate
CID 90095744
tert-butyl N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 124679950
tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 124679952
tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 53414297
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
tert-butyl N-(7-methylisoquinolin-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58972974
tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate
CID 141413175
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]pentanoate
CID 170537255
tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
CID 58261829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate (CID 91756539) is tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate is Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2F)c1.
What is the InChIKey of tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate?
The InChIKey is NQQJZKXXROEFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-6-7-15(14(19)10-12)21(17(22)23-18(3,4)5)16-11-13(2)8-9-20-16/h6-11H,1-5H3.
What are the key properties of tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate?
tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate has a molecular weight of 316.38 g/mol, XLogP of 4.91, 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-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 91756539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).