N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide

C15H14F2N2O — CID 62104670

IUPACN-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
SMILESCc1ccc(CN)cc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N2O/c1-9-2-3-10(8-18)4-14(9)19-15(20)11-5-12(16)7-13(17)6-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOHJOBUVUMWQJSU-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.98
Rot. Bonds3

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

N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide (PubChem CID 62104670) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
PubChem CID62104670
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
SMILESCc1ccc(CN)cc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N2O/c1-9-2-3-10(8-18)4-14(9)19-15(20)11-5-12(16)7-13(17)6-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOHJOBUVUMWQJSU-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
CID 112701135
N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
CID 62098085
N-[5-(aminomethyl)-2-methylphenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475489
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide (CID 62104670) is N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide is Cc1ccc(CN)cc1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide?
The InChIKey is OHJOBUVUMWQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9-2-3-10(8-18)4-14(9)19-15(20)11-5-12(16)7-13(17)6-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide?
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 2.98, 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]-3,5-difluorobenzamide is sourced from PubChem (CID 62104670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).