1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate

C17H20F2N2O3 — CID 175279240

IUPAC1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate
SMILESCNc1ccc(C(C)OC(N)=O)c(OC)c1.Fc1cccc(F)c1
InChIInChI=1S/C11H16N2O3.C6H4F2/c1-7(16-11(12)14)9-5-4-8(13-2)6-10(9)15-3;7-5-2-1-3-6(8)4-5/h4-7,13H,1-3H3,(H2,12,14);1-4H
InChIKeyUVOJXYKRZAJTMX-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.86
Rot. Bonds4

About 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate

1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate (PubChem CID 175279240) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate.

Molecular Properties

Compound Name1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate
PubChem CID175279240
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate
SMILESCNc1ccc(C(C)OC(N)=O)c(OC)c1.Fc1cccc(F)c1
InChIInChI=1S/C11H16N2O3.C6H4F2/c1-7(16-11(12)14)9-5-4-8(13-2)6-10(9)15-3;7-5-2-1-3-6(8)4-5/h4-7,13H,1-3H3,(H2,12,14);1-4H
InChIKeyUVOJXYKRZAJTMX-UHFFFAOYSA-N
XLogP3.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate
CID 174481357
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-(3-fluoroanilino)-2-(2-methoxyphenyl)acetamide
CID 60995341
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347
3-fluoro-N-methylaniline
CID 2759011
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164
2-(3-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60996040
[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate
CID 175183675
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate?
The IUPAC name of 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate (CID 175279240) is 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate.
What is the SMILES notation for 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate?
The canonical SMILES for 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate is CNc1ccc(C(C)OC(N)=O)c(OC)c1.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate?
The InChIKey is UVOJXYKRZAJTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.C6H4F2/c1-7(16-11(12)14)9-5-4-8(13-2)6-10(9)15-3;7-5-2-1-3-6(8)4-5/h4-7,13H,1-3H3,(H2,12,14);1-4H.
What are the key properties of 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate?
1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate has a molecular weight of 338.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate is sourced from PubChem (CID 175279240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).