ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate

C11H11FN2O2 — CID 61061573

IUPACethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C#N)cc(F)c1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)14-10-5-8(6-13)4-9(12)7(10)2/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyUZURMFIDXPCBBY-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.57
Rot. Bonds2

About ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate

ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate (PubChem CID 61061573) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
PubChem CID61061573
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nameethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C#N)cc(F)c1C
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)14-10-5-8(6-13)4-9(12)7(10)2/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyUZURMFIDXPCBBY-UHFFFAOYSA-N
XLogP2.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-cyano-3-fluoro-2-methylphenyl)butanamide
CID 60841231
2-[2-(5-cyano-3-fluoro-2-methylanilino)-2-oxoethoxy]acetic acid
CID 61327661
6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
CID 43712227
N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79200626
(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide
CID 61178263
2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797820
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62838481
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pentanamide
CID 114014772
tert-butyl N-[3-(5-cyano-3-fluoro-2-methylanilino)propyl]carbamate
CID 103821802
3-[(2-ethylphenyl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 62391432
2-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81008344

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate?
The IUPAC name of ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate (CID 61061573) is ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate is CCOC(=O)Nc1cc(C#N)cc(F)c1C.
What is the InChIKey of ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate?
The InChIKey is UZURMFIDXPCBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-16-11(15)14-10-5-8(6-13)4-9(12)7(10)2/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate?
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate has a molecular weight of 222.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate is sourced from PubChem (CID 61061573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).