5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide

C27H27FN2O3 — CID 60556282

IUPAC5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C27H27FN2O3/c1-18-12-23(18)27(32)30-25-11-10-22(28)14-24(25)26(31)29-15-20-8-5-9-21(13-20)17-33-16-19-6-3-2-4-7-19/h2-11,13-14,18,23H,12,15-17H2,1H3,(H,29,31)(H,30,32)
InChIKeyXIWFBQBQLMNFQZ-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.07
Rot. Bonds9

About 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide

5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide (PubChem CID 60556282) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
PubChem CID60556282
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C27H27FN2O3/c1-18-12-23(18)27(32)30-25-11-10-22(28)14-24(25)26(31)29-15-20-8-5-9-21(13-20)17-33-16-19-6-3-2-4-7-19/h2-11,13-14,18,23H,12,15-17H2,1H3,(H,29,31)(H,30,32)
InChIKeyXIWFBQBQLMNFQZ-UHFFFAOYSA-N
XLogP5.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(N-ethylanilino)propyl]-5-fluoro-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124838994
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111539616
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 94646964
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 71938305
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 124839611
5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110907395
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 124738471
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide (CID 60556282) is 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide is CC1CC1C(=O)Nc1ccc(F)cc1C(=O)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide?
The InChIKey is XIWFBQBQLMNFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c1-18-12-23(18)27(32)30-25-11-10-22(28)14-24(25)26(31)29-15-20-8-5-9-21(13-20)17-33-16-19-6-3-2-4-7-19/h2-11,13-14,18,23H,12,15-17H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide?
5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide has a molecular weight of 446.52 g/mol, XLogP of 5.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60556282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).