2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride

C19H17Cl2N3O — CID 90111641

IUPAC2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1ccc(Nc2ccnc(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C19H16ClN3O.ClH/c20-15-3-1-2-14(11-15)18-12-17(8-9-22-18)23-16-6-4-13(5-7-16)10-19(21)24;/h1-9,11-12H,10H2,(H2,21,24)(H,22,23);1H
InChIKeyVBMRXVGVKGZTIR-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.60
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride

2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride (PubChem CID 90111641) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride
PubChem CID90111641
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1ccc(Nc2ccnc(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C19H16ClN3O.ClH/c20-15-3-1-2-14(11-15)18-12-17(8-9-22-18)23-16-6-4-13(5-7-16)10-19(21)24;/h1-9,11-12H,10H2,(H2,21,24)(H,22,23);1H
InChIKeyVBMRXVGVKGZTIR-UHFFFAOYSA-N
XLogP4.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride (CID 90111641) is 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride is Cl.NC(=O)Cc1ccc(Nc2ccnc(-c3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride?
The InChIKey is VBMRXVGVKGZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O.ClH/c20-15-3-1-2-14(11-15)18-12-17(8-9-22-18)23-16-6-4-13(5-7-16)10-19(21)24;/h1-9,11-12H,10H2,(H2,21,24)(H,22,23);1H.
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride?
2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride has a molecular weight of 374.27 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 90111641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).