4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide

C16H17FN2O — CID 114479786

IUPAC4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCc1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-13(16(18)20)5-6-14(11)10-19-9-12-3-2-4-15(17)8-12/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyCORFPWHDMFFJMS-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.52
Rot. Bonds5

About 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide

4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide (PubChem CID 114479786) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
PubChem CID114479786
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCc1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-13(16(18)20)5-6-14(11)10-19-9-12-3-2-4-15(17)8-12/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyCORFPWHDMFFJMS-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
CID 115904619
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
CID 61401068
3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
CID 106417982
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
4-(anilinomethyl)-3-methylbenzamide
CID 114479545

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide (CID 114479786) is 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNCc1cccc(F)c1.
What is the InChIKey of 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide?
The InChIKey is CORFPWHDMFFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-7-13(16(18)20)5-6-14(11)10-19-9-12-3-2-4-15(17)8-12/h2-8,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide?
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114479786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).