N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide

C26H20FNO — CID 5127035

IUPACN-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccc2c3c(cccc13)CC2)c1cccc(F)c1
InChIInChI=1S/C26H20FNO/c27-21-10-4-9-20(16-21)26(29)28-25(19-6-2-1-3-7-19)23-15-14-18-13-12-17-8-5-11-22(23)24(17)18/h1-11,14-16,25H,12-13H2,(H,28,29)
InChIKeyJGAXPVCAHJMLFB-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.60
Rot. Bonds4

About N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide

N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide (PubChem CID 5127035) has the molecular formula C26H20FNO and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide
PubChem CID5127035
Molecular FormulaC26H20FNO
Molecular Weight381.45 g/mol
Exact Mass381.15
IUPAC NameN-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccc2c3c(cccc13)CC2)c1cccc(F)c1
InChIInChI=1S/C26H20FNO/c27-21-10-4-9-20(16-21)26(29)28-25(19-6-2-1-3-7-19)23-15-14-18-13-12-17-8-5-11-22(23)24(17)18/h1-11,14-16,25H,12-13H2,(H,28,29)
InChIKeyJGAXPVCAHJMLFB-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3,4,5-trimethoxybenzamide
CID 3969876
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 3931062
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide
CID 42703749
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622

Frequently Asked Questions

What is the IUPAC name of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide (CID 5127035) is N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide is O=C(NC(c1ccccc1)c1ccc2c3c(cccc13)CC2)c1cccc(F)c1.
What is the InChIKey of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide?
The InChIKey is JGAXPVCAHJMLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO/c27-21-10-4-9-20(16-21)26(29)28-25(19-6-2-1-3-7-19)23-15-14-18-13-12-17-8-5-11-22(23)24(17)18/h1-11,14-16,25H,12-13H2,(H,28,29).
What are the key properties of N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide?
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide has a molecular weight of 381.45 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 5127035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).