3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

C14H12Cl2N2O2 — CID 51306023

IUPAC3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-5-2-9(7-17-13)8-18-14(19)10-3-4-11(15)12(16)6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyDVPZKOUWWBJNCU-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.33
Rot. Bonds4

About 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 51306023) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID51306023
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-5-2-9(7-17-13)8-18-14(19)10-3-4-11(15)12(16)6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyDVPZKOUWWBJNCU-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 24589970
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998680
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (CID 51306023) is 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is DVPZKOUWWBJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-13-5-2-9(7-17-13)8-18-14(19)10-3-4-11(15)12(16)6-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 311.17 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 51306023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).