N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate

C11H13FNO2- — CID 57370760

IUPACN-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate
SMILESCc1cc(F)ccc1N(C(=O)[O-])C(C)C
InChIInChI=1S/C11H14FNO2/c1-7(2)13(11(14)15)10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H,14,15)/p-1
InChIKeyLFACYKJVPFZZJB-UHFFFAOYSA-M
MW210.23 g/mol
LogP1.69
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate

N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate (PubChem CID 57370760) has the molecular formula C11H13FNO2- and a molecular weight of 210.23 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate
PubChem CID57370760
Molecular FormulaC11H13FNO2-
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC NameN-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate
SMILESCc1cc(F)ccc1N(C(=O)[O-])C(C)C
InChIInChI=1S/C11H14FNO2/c1-7(2)13(11(14)15)10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H,14,15)/p-1
InChIKeyLFACYKJVPFZZJB-UHFFFAOYSA-M
XLogP1.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57351838
N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57352336
2-(4-fluoro-2-methyl-N-sulfoanilino)-2-methylpropanoic acid
CID 174719391
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
2-bromo-1-(4-fluoro-2-methylphenyl)-4-methylpentan-3-one
CID 62393913
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
4-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350390
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
N-(2-chloro-4-fluorophenyl)-2-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56792433
2-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-one
CID 116549116
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate (CID 57370760) is N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate is Cc1cc(F)ccc1N(C(=O)[O-])C(C)C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate?
The InChIKey is LFACYKJVPFZZJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14FNO2/c1-7(2)13(11(14)15)10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H,14,15)/p-1.
What are the key properties of N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate?
N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate has a molecular weight of 210.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 57370760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).