2-fluoro-4-methoxy-N,N-dipropylbenzamide

C14H20FNO2 — CID 78805083

IUPAC2-fluoro-4-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-8-16(9-5-2)14(17)12-7-6-11(18-3)10-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQBXVWMSGXMWUNW-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.10
Rot. Bonds6

About 2-fluoro-4-methoxy-N,N-dipropylbenzamide

2-fluoro-4-methoxy-N,N-dipropylbenzamide (PubChem CID 78805083) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N,N-dipropylbenzamide
PubChem CID78805083
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-4-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-8-16(9-5-2)14(17)12-7-6-11(18-3)10-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQBXVWMSGXMWUNW-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102884787
2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
CID 113234175
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747382
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N,N-dipropylbenzamide?
The IUPAC name of 2-fluoro-4-methoxy-N,N-dipropylbenzamide (CID 78805083) is 2-fluoro-4-methoxy-N,N-dipropylbenzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N,N-dipropylbenzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-4-methoxy-N,N-dipropylbenzamide?
The InChIKey is QBXVWMSGXMWUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-8-16(9-5-2)14(17)12-7-6-11(18-3)10-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2-fluoro-4-methoxy-N,N-dipropylbenzamide?
2-fluoro-4-methoxy-N,N-dipropylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N,N-dipropylbenzamide is sourced from PubChem (CID 78805083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).