3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide

C19H16ClN3O2 — CID 113034080

IUPAC3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C19H16ClN3O2/c1-25-17-7-3-6-15(11-17)22-16-8-9-18(21-12-16)23-19(24)13-4-2-5-14(20)10-13/h2-12,22H,1H3,(H,21,23,24)
InChIKeyWILLFTDGDIODMX-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.74
Rot. Bonds5

About 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide

3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide (PubChem CID 113034080) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
PubChem CID113034080
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C19H16ClN3O2/c1-25-17-7-3-6-15(11-17)22-16-8-9-18(21-12-16)23-19(24)13-4-2-5-14(20)10-13/h2-12,22H,1H3,(H,21,23,24)
InChIKeyWILLFTDGDIODMX-UHFFFAOYSA-N
XLogP4.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide (CID 113034080) is 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide is COc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1.
What is the InChIKey of 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
The InChIKey is WILLFTDGDIODMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-17-7-3-6-15(11-17)22-16-8-9-18(21-12-16)23-19(24)13-4-2-5-14(20)10-13/h2-12,22H,1H3,(H,21,23,24).
What are the key properties of 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide has a molecular weight of 353.81 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113034080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).