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

C15H14ClFN2O — CID 28572208

IUPAC4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
SMILESCc1c(Cl)cccc1NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-12(16)3-2-4-14(9)19-8-11-6-5-10(15(18)20)7-13(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyCHVVAWFBVWRQGW-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.50
Rot. Bonds4

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

4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide (PubChem CID 28572208) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
PubChem CID28572208
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
SMILESCc1c(Cl)cccc1NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-12(16)3-2-4-14(9)19-8-11-6-5-10(15(18)20)7-13(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyCHVVAWFBVWRQGW-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

3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
3-bromo-4-[(3-chloro-2-methylanilino)methyl]benzoic acid
CID 103232223
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide (CID 28572208) is 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide is Cc1c(Cl)cccc1NCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide?
The InChIKey is CHVVAWFBVWRQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-12(16)3-2-4-14(9)19-8-11-6-5-10(15(18)20)7-13(11)17/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide?
4-[(3-chloro-2-methylanilino)methyl]-3-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 4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 28572208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).