N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide

C24H20ClN3O — CID 46386385

IUPACN-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide
SMILESCc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20ClN3O/c1-16-8-9-17(2)28(16)22-7-4-14-26-23(22)18-10-12-19(13-11-18)24(29)27-21-6-3-5-20(25)15-21/h3-15H,1-2H3,(H,27,29)
InChIKeyDPRIUFRELATJJT-UHFFFAOYSA-N
MW401.90 g/mol
LogP6.06
Rot. Bonds4

About N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide

N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide (PubChem CID 46386385) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide
PubChem CID46386385
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC NameN-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide
SMILESCc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20ClN3O/c1-16-8-9-17(2)28(16)22-7-4-14-26-23(22)18-10-12-19(13-11-18)24(29)27-21-6-3-5-20(25)15-21/h3-15H,1-2H3,(H,27,29)
InChIKeyDPRIUFRELATJJT-UHFFFAOYSA-N
XLogP6.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetamido-2-pyridinyl)-N-(3-chlorophenyl)benzamide
CID 46386362
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)benzamide
CID 20973854
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
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CID 18907057
N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848199
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide (CID 46386385) is N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide is Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide?
The InChIKey is DPRIUFRELATJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-16-8-9-17(2)28(16)22-7-4-14-26-23(22)18-10-12-19(13-11-18)24(29)27-21-6-3-5-20(25)15-21/h3-15H,1-2H3,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide?
N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide has a molecular weight of 401.90 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 46386385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).