3-fluoro-4-methoxy-N,N-dipropylbenzamide

C14H20FNO2 — CID 86906434

IUPAC3-fluoro-4-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-8-16(9-5-2)14(17)11-6-7-13(18-3)12(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQOZJIJDDSZMYJV-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.10
Rot. Bonds6

About 3-fluoro-4-methoxy-N,N-dipropylbenzamide

3-fluoro-4-methoxy-N,N-dipropylbenzamide (PubChem CID 86906434) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N,N-dipropylbenzamide
PubChem CID86906434
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-fluoro-4-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-8-16(9-5-2)14(17)11-6-7-13(18-3)12(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQOZJIJDDSZMYJV-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

3-fluoro-4-methoxy-N-propyl-N-prop-2-ynylbenzamide
CID 78970638
3-[ethyl-(3-fluoro-4-methoxybenzoyl)amino]propanoic acid
CID 54898966
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-fluoro-4-methoxybenzamide
CID 55131775
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
CID 110416415
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
3-fluoro-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 69142014
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405
N-(2-chloroethyl)-3-fluoro-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492036
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N,N-dipropylbenzamide?
The IUPAC name of 3-fluoro-4-methoxy-N,N-dipropylbenzamide (CID 86906434) is 3-fluoro-4-methoxy-N,N-dipropylbenzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N,N-dipropylbenzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N,N-dipropylbenzamide?
The InChIKey is QOZJIJDDSZMYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-8-16(9-5-2)14(17)11-6-7-13(18-3)12(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N,N-dipropylbenzamide?
3-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 3-fluoro-4-methoxy-N,N-dipropylbenzamide is sourced from PubChem (CID 86906434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).