2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide

C22H23ClN4O — CID 59673340

IUPAC2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2N)cc1
InChIInChI=1S/C22H23ClN4O/c1-3-27(4-2)17-10-8-16(9-11-17)26-22(28)18-12-7-15(14-20(18)24)21-19(23)6-5-13-25-21/h5-14H,3-4,24H2,1-2H3,(H,26,28)
InChIKeyBGXPWBAILHSFRM-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.08
Rot. Bonds6

About 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide

2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide (PubChem CID 59673340) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide
PubChem CID59673340
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2N)cc1
InChIInChI=1S/C22H23ClN4O/c1-3-27(4-2)17-10-8-16(9-11-17)26-22(28)18-12-7-15(14-20(18)24)21-19(23)6-5-13-25-21/h5-14H,3-4,24H2,1-2H3,(H,26,28)
InChIKeyBGXPWBAILHSFRM-UHFFFAOYSA-N
XLogP5.08
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide?
The IUPAC name of 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide (CID 59673340) is 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide.
What is the SMILES notation for 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide?
The canonical SMILES for 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2N)cc1.
What is the InChIKey of 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide?
The InChIKey is BGXPWBAILHSFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-3-27(4-2)17-10-8-16(9-11-17)26-22(28)18-12-7-15(14-20(18)24)21-19(23)6-5-13-25-21/h5-14H,3-4,24H2,1-2H3,(H,26,28).
What are the key properties of 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide?
2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide has a molecular weight of 394.91 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide is sourced from PubChem (CID 59673340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).