2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide

C21H17Cl3N2O2 — CID 18387334

IUPAC2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
SMILESO=C(c1c(-c2ccccc2)ccnc1Cl)N(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl3N2O2/c22-17-7-6-14(12-18(17)23)13-26(10-11-27)21(28)19-16(8-9-25-20(19)24)15-4-2-1-3-5-15/h1-9,12,27H,10-11,13H2
InChIKeyZJMAPWGPEXQQLX-UHFFFAOYSA-N
MW435.74 g/mol
LogP5.34
Rot. Bonds6

About 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide

2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide (PubChem CID 18387334) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
PubChem CID18387334
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
SMILESO=C(c1c(-c2ccccc2)ccnc1Cl)N(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl3N2O2/c22-17-7-6-14(12-18(17)23)13-26(10-11-27)21(28)19-16(8-9-25-20(19)24)15-4-2-1-3-5-15/h1-9,12,27H,10-11,13H2
InChIKeyZJMAPWGPEXQQLX-UHFFFAOYSA-N
XLogP5.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387292
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387224
N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 75496845
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 77087747
N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 113222065
N-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)propyl]isoquinoline-1-carboxamide
CID 52822247
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
CID 75470667
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide (CID 18387334) is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide is O=C(c1c(-c2ccccc2)ccnc1Cl)N(CCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
The InChIKey is ZJMAPWGPEXQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c22-17-7-6-14(12-18(17)23)13-26(10-11-27)21(28)19-16(8-9-25-20(19)24)15-4-2-1-3-5-15/h1-9,12,27H,10-11,13H2.
What are the key properties of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide has a molecular weight of 435.74 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 18387334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).