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

C14H13Cl2N3O2 — CID 107185089

IUPAC5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-21-12-3-2-8(6-18-12)7-19-14(20)10-4-9(17)5-11(15)13(10)16/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyVMCUAMDCWDMMKM-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.91
Rot. Bonds4

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

5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 107185089) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID107185089
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(N)cc(Cl)c2Cl)cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-21-12-3-2-8(6-18-12)7-19-14(20)10-4-9(17)5-11(15)13(10)16/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyVMCUAMDCWDMMKM-UHFFFAOYSA-N
XLogP2.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-nitrobenzamide
CID 51316838
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029142
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (CID 107185089) is 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is COc1ccc(CNC(=O)c2cc(N)cc(Cl)c2Cl)cn1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is VMCUAMDCWDMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-21-12-3-2-8(6-18-12)7-19-14(20)10-4-9(17)5-11(15)13(10)16/h2-6H,7,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 326.18 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 107185089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).