propyl N-(4-fluoro-3-methylphenyl)carbamate

C11H14FNO2 — CID 59576509

IUPACpropyl N-(4-fluoro-3-methylphenyl)carbamate
SMILESCCCOC(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C11H14FNO2/c1-3-6-15-11(14)13-9-4-5-10(12)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyASMXMWDKULQXRL-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.09
Rot. Bonds3

About propyl N-(4-fluoro-3-methylphenyl)carbamate

propyl N-(4-fluoro-3-methylphenyl)carbamate (PubChem CID 59576509) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is propyl N-(4-fluoro-3-methylphenyl)carbamate.

Molecular Properties

Compound Namepropyl N-(4-fluoro-3-methylphenyl)carbamate
PubChem CID59576509
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namepropyl N-(4-fluoro-3-methylphenyl)carbamate
SMILESCCCOC(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C11H14FNO2/c1-3-6-15-11(14)13-9-4-5-10(12)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyASMXMWDKULQXRL-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
propyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 112738643
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
propyl N-(2H-benzotriazol-5-yl)carbamate
CID 135188444
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 62813947
propyl N-(3-bromophenyl)carbamate
CID 19165876
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918

Frequently Asked Questions

What is the IUPAC name of propyl N-(4-fluoro-3-methylphenyl)carbamate?
The IUPAC name of propyl N-(4-fluoro-3-methylphenyl)carbamate (CID 59576509) is propyl N-(4-fluoro-3-methylphenyl)carbamate.
What is the SMILES notation for propyl N-(4-fluoro-3-methylphenyl)carbamate?
The canonical SMILES for propyl N-(4-fluoro-3-methylphenyl)carbamate is CCCOC(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of propyl N-(4-fluoro-3-methylphenyl)carbamate?
The InChIKey is ASMXMWDKULQXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-6-15-11(14)13-9-4-5-10(12)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of propyl N-(4-fluoro-3-methylphenyl)carbamate?
propyl N-(4-fluoro-3-methylphenyl)carbamate has a molecular weight of 211.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(4-fluoro-3-methylphenyl)carbamate is sourced from PubChem (CID 59576509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).