4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride

C19H24Cl3N3O — CID 119852975

IUPAC4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O.2ClH/c20-18-12-15(21)7-8-17(18)19(24)22-16-6-4-5-14(11-16)13-23-9-2-1-3-10-23;;/h4-8,11-12H,1-3,9-10,13,21H2,(H,22,24);2*1H
InChIKeySTJHKDIFVXNUBV-UHFFFAOYSA-N
MW416.78 g/mol
LogP5.00
Rot. Bonds4

About 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride

4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride (PubChem CID 119852975) has the molecular formula C19H24Cl3N3O and a molecular weight of 416.78 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride
PubChem CID119852975
Molecular FormulaC19H24Cl3N3O
Molecular Weight416.78 g/mol
Exact Mass415.10
IUPAC Name4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O.2ClH/c20-18-12-15(21)7-8-17(18)19(24)22-16-6-4-5-14(11-16)13-23-9-2-1-3-10-23;;/h4-8,11-12H,1-3,9-10,13,21H2,(H,22,24);2*1H
InChIKeySTJHKDIFVXNUBV-UHFFFAOYSA-N
XLogP5.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
CID 119852845
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
5-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618282
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131944566
1,4-dichloro-N-[3-(piperidin-1-ylmethyl)phenyl]phthalazine-6-carboxamide
CID 86620972
2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide
CID 26464004
4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851476
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131909771
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride (CID 119852975) is 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride?
The InChIKey is STJHKDIFVXNUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O.2ClH/c20-18-12-15(21)7-8-17(18)19(24)22-16-6-4-5-14(11-16)13-23-9-2-1-3-10-23;;/h4-8,11-12H,1-3,9-10,13,21H2,(H,22,24);2*1H.
What are the key properties of 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride?
4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride has a molecular weight of 416.78 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 119852975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).