1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone

C10H10ClF2NO2 — CID 117377818

IUPAC1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(F)cc(OC)c(Cl)c1F
InChIInChI=1S/C10H10ClF2NO2/c1-14-4-6(15)8-5(12)3-7(16-2)9(11)10(8)13/h3,14H,4H2,1-2H3
InChIKeySEXSGQYTSRDUGU-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone

1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone (PubChem CID 117377818) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
PubChem CID117377818
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(F)cc(OC)c(Cl)c1F
InChIInChI=1S/C10H10ClF2NO2/c1-14-4-6(15)8-5(12)3-7(16-2)9(11)10(8)13/h3,14H,4H2,1-2H3
InChIKeySEXSGQYTSRDUGU-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-(4-chloro-2,3,5-trifluorophenyl)-2-(methylamino)ethanone
CID 117108354
1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 84811946
1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
CID 84680628
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 117416056
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone (CID 117377818) is 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(F)cc(OC)c(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone?
The InChIKey is SEXSGQYTSRDUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-14-4-6(15)8-5(12)3-7(16-2)9(11)10(8)13/h3,14H,4H2,1-2H3.
What are the key properties of 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone?
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone has a molecular weight of 249.64 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117377818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).