tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate

C15H19F2NO2 — CID 63789029

IUPACtert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18(12-6-7-12)9-10-4-5-11(16)8-13(10)17/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyDUTDSFXSWLSCCT-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.86
Rot. Bonds3

About tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate

tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate (PubChem CID 63789029) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
PubChem CID63789029
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18(12-6-7-12)9-10-4-5-11(16)8-13(10)17/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyDUTDSFXSWLSCCT-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(4-bromo-2,5-difluorophenyl)methyl]-N-cyclopropylcarbamate
CID 164572023
tert-butyl N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxetan-3-yl)carbamate
CID 138986267
2-[(2,4-difluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 176575788
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
tert-butyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 162340809
tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 69079767
methyl 2-[(2,4-difluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 177118891
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]-N-cyclopropylcarbamate
CID 138985574
[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl N-[(2,4-difluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate
CID 151895888
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate (CID 63789029) is tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate?
The InChIKey is DUTDSFXSWLSCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18(12-6-7-12)9-10-4-5-11(16)8-13(10)17/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate?
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate has a molecular weight of 283.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate is sourced from PubChem (CID 63789029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).