N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide

C27H25FN2O — CID 25012741

IUPACN-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide
SMILESCN(C)Cc1ccc2c(CNC(=O)c3ccc(-c4cccc(F)c4)cc3)cccc2c1
InChIInChI=1S/C27H25FN2O/c1-30(2)18-19-9-14-26-23(15-19)6-3-7-24(26)17-29-27(31)21-12-10-20(11-13-21)22-5-4-8-25(28)16-22/h3-16H,17-18H2,1-2H3,(H,29,31)
InChIKeyKLXAJVCGYKGFQJ-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.64
Rot. Bonds6

About N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide

N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide (PubChem CID 25012741) has the molecular formula C27H25FN2O and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide
PubChem CID25012741
Molecular FormulaC27H25FN2O
Molecular Weight412.51 g/mol
Exact Mass412.20
IUPAC NameN-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide
SMILESCN(C)Cc1ccc2c(CNC(=O)c3ccc(-c4cccc(F)c4)cc3)cccc2c1
InChIInChI=1S/C27H25FN2O/c1-30(2)18-19-9-14-26-23(15-19)6-3-7-24(26)17-29-27(31)21-12-10-20(11-13-21)22-5-4-8-25(28)16-22/h3-16H,17-18H2,1-2H3,(H,29,31)
InChIKeyKLXAJVCGYKGFQJ-UHFFFAOYSA-N
XLogP5.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide
CID 91415061
N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 91074212
4-(3-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 77078604
4-(4-nitrophenyl)-N-[[6-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]benzamide
CID 90772202
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 70584009
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 42213619
N-[1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24661069

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide?
The IUPAC name of N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide (CID 25012741) is N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide.
What is the SMILES notation for N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide?
The canonical SMILES for N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide is CN(C)Cc1ccc2c(CNC(=O)c3ccc(-c4cccc(F)c4)cc3)cccc2c1.
What is the InChIKey of N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide?
The InChIKey is KLXAJVCGYKGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O/c1-30(2)18-19-9-14-26-23(15-19)6-3-7-24(26)17-29-27(31)21-12-10-20(11-13-21)22-5-4-8-25(28)16-22/h3-16H,17-18H2,1-2H3,(H,29,31).
What are the key properties of N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide?
N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide has a molecular weight of 412.51 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide is sourced from PubChem (CID 25012741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).