ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate

C14H20FNO2 — CID 23069482

IUPACethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C(C)(C)C)c(C)c1F
InChIInChI=1S/C14H20FNO2/c1-6-18-13(17)16-11-8-7-10(14(3,4)5)9(2)12(11)15/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyFXVRCKIHZCNFOX-UHFFFAOYSA-N
MW253.32 g/mol
LogP4.00
Rot. Bonds2

About ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate

ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate (PubChem CID 23069482) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate
PubChem CID23069482
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Nameethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C(C)(C)C)c(C)c1F
InChIInChI=1S/C14H20FNO2/c1-6-18-13(17)16-11-8-7-10(14(3,4)5)9(2)12(11)15/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyFXVRCKIHZCNFOX-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 165144923
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
3-amino-4-(ethoxycarbonylamino)benzoic acid
CID 63117054
2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid
CID 153384076
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
ethyl N-[2-amino-3-fluoro-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202085
ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
CID 10266902
ethyl N-[2-amino-3-fluoro-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]carbamate
CID 157083674
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate?
The IUPAC name of ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate (CID 23069482) is ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate is CCOC(=O)Nc1ccc(C(C)(C)C)c(C)c1F.
What is the InChIKey of ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate?
The InChIKey is FXVRCKIHZCNFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-6-18-13(17)16-11-8-7-10(14(3,4)5)9(2)12(11)15/h7-8H,6H2,1-5H3,(H,16,17).
What are the key properties of ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate?
ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate has a molecular weight of 253.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate is sourced from PubChem (CID 23069482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).