2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide

C12H15ClFNO2 — CID 162421154

IUPAC2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(F)c(OC)c1Cl
InChIInChI=1S/C12H15ClFNO2/c1-4-15(5-2)12(16)8-6-7-9(14)11(17-3)10(8)13/h6-7H,4-5H2,1-3H3
InChIKeyVYHYLARYLBVRFO-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.97
Rot. Bonds4

About 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide

2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide (PubChem CID 162421154) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide
PubChem CID162421154
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(F)c(OC)c1Cl
InChIInChI=1S/C12H15ClFNO2/c1-4-15(5-2)12(16)8-6-7-9(14)11(17-3)10(8)13/h6-7H,4-5H2,1-3H3
InChIKeyVYHYLARYLBVRFO-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
CID 54232083
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
CID 171005984
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
N,N-diethyl-4-methoxy-1-benzothiophene-5-carboxamide
CID 10515700
(2-chloro-4-fluoro-3-methoxyphenyl)methanol
CID 171005170
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
N,N,4-triethyl-2-fluorobenzamide
CID 69055558
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide (CID 162421154) is 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide is CCN(CC)C(=O)c1ccc(F)c(OC)c1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide?
The InChIKey is VYHYLARYLBVRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-4-15(5-2)12(16)8-6-7-9(14)11(17-3)10(8)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide?
2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 162421154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).