4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

C14H13Cl2N3O2 — CID 82783281

IUPAC4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)ccn1
InChIInChI=1S/C14H13Cl2N3O2/c1-21-12-4-8(2-3-18-12)7-19-14(20)9-5-10(15)13(17)11(16)6-9/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyLLSRZSUCTCBAGF-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.91
Rot. Bonds4

About 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (PubChem CID 82783281) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
PubChem CID82783281
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)ccn1
InChIInChI=1S/C14H13Cl2N3O2/c1-21-12-4-8(2-3-18-12)7-19-14(20)9-5-10(15)13(17)11(16)6-9/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyLLSRZSUCTCBAGF-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

5-chloro-6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62989408
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62990773
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62990194
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
2-amino-6-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 81394679

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (CID 82783281) is 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)ccn1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is LLSRZSUCTCBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-21-12-4-8(2-3-18-12)7-19-14(20)9-5-10(15)13(17)11(16)6-9/h2-6H,7,17H2,1H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
4-amino-3,5-dichloro-N-[(2-methoxy-4-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 4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 82783281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).