2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide

C21H19FN2O — CID 112982009

IUPAC2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
SMILESCc1ccccc1CNc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O/c1-15-6-2-3-7-16(15)14-23-17-10-12-18(13-11-17)24-21(25)19-8-4-5-9-20(19)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyVMQZTLDEZASACZ-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.00
Rot. Bonds5

About 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide

2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide (PubChem CID 112982009) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
PubChem CID112982009
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
SMILESCc1ccccc1CNc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O/c1-15-6-2-3-7-16(15)14-23-17-10-12-18(13-11-17)24-21(25)19-8-4-5-9-20(19)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyVMQZTLDEZASACZ-UHFFFAOYSA-N
XLogP5.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
N-[4-[(2-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982029
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide (CID 112982009) is 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide is Cc1ccccc1CNc1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
The InChIKey is VMQZTLDEZASACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15-6-2-3-7-16(15)14-23-17-10-12-18(13-11-17)24-21(25)19-8-4-5-9-20(19)22/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide has a molecular weight of 334.39 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).