4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide

C23H23ClN2O2 — CID 59672637

IUPAC4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1-c1ncccc1Cl
InChIInChI=1S/C23H23ClN2O2/c1-15(2)17-8-6-16(7-9-17)14-26-23(27)18-10-11-19(21(13-18)28-3)22-20(24)5-4-12-25-22/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyYWTRLYAMFQJRJR-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.46
Rot. Bonds6

About 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide

4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 59672637) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID59672637
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1-c1ncccc1Cl
InChIInChI=1S/C23H23ClN2O2/c1-15(2)17-8-6-16(7-9-17)14-26-23(27)18-10-11-19(21(13-18)28-3)22-20(24)5-4-12-25-22/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyYWTRLYAMFQJRJR-UHFFFAOYSA-N
XLogP5.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 59673505
4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
CID 59673439
4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
CID 59672600
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 59672637) is 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide is COc1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1-c1ncccc1Cl.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is YWTRLYAMFQJRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-15(2)17-8-6-16(7-9-17)14-26-23(27)18-10-11-19(21(13-18)28-3)22-20(24)5-4-12-25-22/h4-13,15H,14H2,1-3H3,(H,26,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide?
4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 394.90 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 59672637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).