(3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate

C11H11F2NO3 — CID 154453225

IUPAC(3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)OCc1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO3/c1-7(15)5-14-11(16)17-6-8-2-9(12)4-10(13)3-8/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyJPUJCKIWTOQPQZ-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.78
Rot. Bonds4

About (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate

(3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate (PubChem CID 154453225) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate.

Molecular Properties

Compound Name(3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate
PubChem CID154453225
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name(3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)OCc1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO3/c1-7(15)5-14-11(16)17-6-8-2-9(12)4-10(13)3-8/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyJPUJCKIWTOQPQZ-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
(3,5-difluorophenyl)methylurea
CID 112708056
(4-fluorophenyl)methyl acetate
CID 14793785
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
benzyl N-[3-(3-fluoro-5-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170812389
2-[(4-acetyloxyphenyl)methoxycarbonylamino]acetic acid
CID 86217606

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate?
The IUPAC name of (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate (CID 154453225) is (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate.
What is the SMILES notation for (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate?
The canonical SMILES for (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate is CC(=O)CNC(=O)OCc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate?
The InChIKey is JPUJCKIWTOQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-7(15)5-14-11(16)17-6-8-2-9(12)4-10(13)3-8/h2-4H,5-6H2,1H3,(H,14,16).
What are the key properties of (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate?
(3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate has a molecular weight of 243.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)methyl N-(2-oxopropyl)carbamate is sourced from PubChem (CID 154453225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).