2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide

C12H16FNO4 — CID 103604552

IUPAC2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCO)CCO)c(F)c1
InChIInChI=1S/C12H16FNO4/c1-18-9-2-3-10(11(13)8-9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyGDCAVXBZCMQHFD-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.26
Rot. Bonds6

About 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide

2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide (PubChem CID 103604552) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
PubChem CID103604552
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCO)CCO)c(F)c1
InChIInChI=1S/C12H16FNO4/c1-18-9-2-3-10(11(13)8-9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyGDCAVXBZCMQHFD-UHFFFAOYSA-N
XLogP0.26
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747382
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102884787
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
CID 113234175
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 115772675
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide?
The IUPAC name of 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide (CID 103604552) is 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide?
The canonical SMILES for 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide is COc1ccc(C(=O)N(CCO)CCO)c(F)c1.
What is the InChIKey of 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide?
The InChIKey is GDCAVXBZCMQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-18-9-2-3-10(11(13)8-9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7H2,1H3.
What are the key properties of 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide?
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide has a molecular weight of 257.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide is sourced from PubChem (CID 103604552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).