3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide

C14H12F2N2O — CID 28974181

IUPAC3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
SMILESNCc1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C14H12F2N2O/c15-11-5-2-6-12(16)13(11)18-14(19)10-4-1-3-9(7-10)8-17/h1-7H,8,17H2,(H,18,19)
InChIKeyKYXMTPMXJIVRMK-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.68
Rot. Bonds3

About 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide

3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide (PubChem CID 28974181) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
PubChem CID28974181
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
SMILESNCc1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C14H12F2N2O/c15-11-5-2-6-12(16)13(11)18-14(19)10-4-1-3-9(7-10)8-17/h1-7H,8,17H2,(H,18,19)
InChIKeyKYXMTPMXJIVRMK-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
2-[[3-(aminomethyl)benzoyl]amino]-5-fluorobenzoic acid
CID 82546155
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
CID 82546564
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide (CID 28974181) is 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide is NCc1cccc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide?
The InChIKey is KYXMTPMXJIVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-5-2-6-12(16)13(11)18-14(19)10-4-1-3-9(7-10)8-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide?
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide has a molecular weight of 262.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide is sourced from PubChem (CID 28974181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).