3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide

C15H13ClF2N2O — CID 62537793

IUPAC3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClF2N2O/c16-12-5-9(1-3-14(12)18)7-20-8-11-6-10(15(19)21)2-4-13(11)17/h1-6,20H,7-8H2,(H2,19,21)
InChIKeyLVMIAIBQKBWZCQ-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.01
Rot. Bonds5

About 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide (PubChem CID 62537793) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
PubChem CID62537793
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClF2N2O/c16-12-5-9(1-3-14(12)18)7-20-8-11-6-10(15(19)21)2-4-13(11)17/h1-6,20H,7-8H2,(H2,19,21)
InChIKeyLVMIAIBQKBWZCQ-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
CID 102664463
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzoic acid
CID 106468572
3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
CID 61401068
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754
methyl 4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzoate
CID 62537765
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
CID 43610147

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide?
The IUPAC name of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide (CID 62537793) is 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(CNCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide?
The InChIKey is LVMIAIBQKBWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c16-12-5-9(1-3-14(12)18)7-20-8-11-6-10(15(19)21)2-4-13(11)17/h1-6,20H,7-8H2,(H2,19,21).
What are the key properties of 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide?
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide is sourced from PubChem (CID 62537793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).