2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

C14H12F2N2O2 — CID 47136692

IUPAC2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C14H12F2N2O2/c1-20-13-5-2-9(7-17-13)8-18-14(19)11-6-10(15)3-4-12(11)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJECPUNLXRJTBPV-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.30
Rot. Bonds4

About 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 47136692) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID47136692
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C14H12F2N2O2/c1-20-13-5-2-9(7-17-13)8-18-14(19)11-6-10(15)3-4-12(11)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyJECPUNLXRJTBPV-UHFFFAOYSA-N
XLogP2.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029142
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089
3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 62991277
1-(2,4-difluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 51317056
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (CID 47136692) is 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is COc1ccc(CNC(=O)c2cc(F)ccc2F)cn1.
What is the InChIKey of 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is JECPUNLXRJTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-20-13-5-2-9(7-17-13)8-18-14(19)11-6-10(15)3-4-12(11)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 278.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 47136692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).