N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide

C21H24FNO3 — CID 10316281

IUPACN-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide
SMILESCCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO3/c1-5-21(6-2,19(24)15-10-12-16(22)13-11-15)23-20(25)17-8-7-9-18(26-4)14(17)3/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeyARCTXHCBDPBQRM-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.31
Rot. Bonds7

About N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide

N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide (PubChem CID 10316281) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide
PubChem CID10316281
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC NameN-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide
SMILESCCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO3/c1-5-21(6-2,19(24)15-10-12-16(22)13-11-15)23-20(25)17-8-7-9-18(26-4)14(17)3/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeyARCTXHCBDPBQRM-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide (CID 10316281) is N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide is CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide?
The InChIKey is ARCTXHCBDPBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-5-21(6-2,19(24)15-10-12-16(22)13-11-15)23-20(25)17-8-7-9-18(26-4)14(17)3/h7-13H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide?
N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorobenzoyl)pentan-3-yl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 10316281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).