N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide

C15H15FN2O — CID 62104316

IUPACN-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
SMILESCc1ccc(CN)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-6-11(9-17)7-14(10)18-15(19)12-3-2-4-13(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyYHRLTRYTULTPFI-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.85
Rot. Bonds3

About N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide

N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide (PubChem CID 62104316) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
PubChem CID62104316
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
SMILESCc1ccc(CN)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-6-11(9-17)7-14(10)18-15(19)12-3-2-4-13(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyYHRLTRYTULTPFI-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 4155198
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
CID 9097762
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide (CID 62104316) is N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide is Cc1ccc(CN)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide?
The InChIKey is YHRLTRYTULTPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-6-11(9-17)7-14(10)18-15(19)12-3-2-4-13(16)8-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide?
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide is sourced from PubChem (CID 62104316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).