3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide

C15H14ClFN2O — CID 28572210

IUPAC3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
SMILESCc1c(Cl)cccc1NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-12(16)3-2-4-14(9)19-8-11-7-10(15(18)20)5-6-13(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyAKPOERGPXXGXLF-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.50
Rot. Bonds4

About 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide

3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide (PubChem CID 28572210) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
PubChem CID28572210
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
SMILESCc1c(Cl)cccc1NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-12(16)3-2-4-14(9)19-8-11-7-10(15(18)20)5-6-13(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyAKPOERGPXXGXLF-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
3-[[[2-(3-chloro-2-methylanilino)acetyl]amino]methyl]-4-fluorobenzoic acid
CID 143624740
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzamide
CID 62331910
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
3-[(2,3-dimethylanilino)methyl]-4-fluorobenzoic acid
CID 107452422
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
3-bromo-4-[(3-chloro-2-methylanilino)methyl]benzoic acid
CID 103232223
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
3-[(3-ethynylanilino)methyl]-4-fluorobenzamide
CID 28564172
3-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]-4-fluorobenzamide
CID 79099918

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide (CID 28572210) is 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide is Cc1c(Cl)cccc1NCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide?
The InChIKey is AKPOERGPXXGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-12(16)3-2-4-14(9)19-8-11-7-10(15(18)20)5-6-13(11)17/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide?
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide is sourced from PubChem (CID 28572210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).