3-[(4-fluorophenyl)methylamino]benzamide

C14H13FN2O — CID 28650463

IUPAC3-[(4-fluorophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeyMUJUVCOIMMGFNB-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.54
Rot. Bonds4

About 3-[(4-fluorophenyl)methylamino]benzamide

3-[(4-fluorophenyl)methylamino]benzamide (PubChem CID 28650463) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]benzamide
PubChem CID28650463
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name3-[(4-fluorophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeyMUJUVCOIMMGFNB-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
4-[(3-methylanilino)methyl]benzamide
CID 28564307
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
CID 28650742
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 50983440
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]benzamide (CID 28650463) is 3-[(4-fluorophenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]benzamide is NC(=O)c1cccc(NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]benzamide?
The InChIKey is MUJUVCOIMMGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18).
What are the key properties of 3-[(4-fluorophenyl)methylamino]benzamide?
3-[(4-fluorophenyl)methylamino]benzamide has a molecular weight of 244.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]benzamide is sourced from PubChem (CID 28650463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).