2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide

C22H20F2N2O3 — CID 24598993

IUPAC2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)CCNC(=O)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C22H20F2N2O3/c1-29-18-6-4-15-10-14(2-3-16(15)11-18)13-26-21(27)8-9-25-22(28)19-7-5-17(23)12-20(19)24/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyAPFVVXRTZIXPLU-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.56
Rot. Bonds7

About 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide (PubChem CID 24598993) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
PubChem CID24598993
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)CCNC(=O)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C22H20F2N2O3/c1-29-18-6-4-15-10-14(2-3-16(15)11-18)13-26-21(27)8-9-25-22(28)19-7-5-17(23)12-20(19)24/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyAPFVVXRTZIXPLU-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 41286081
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51220458
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41438087
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 46470248
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide (CID 24598993) is 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide is COc1ccc2cc(CNC(=O)CCNC(=O)c3ccc(F)cc3F)ccc2c1.
What is the InChIKey of 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is APFVVXRTZIXPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-29-18-6-4-15-10-14(2-3-16(15)11-18)13-26-21(27)8-9-25-22(28)19-7-5-17(23)12-20(19)24/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24598993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).