5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide

C19H20Cl2N2O2 — CID 1007459

IUPAC5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-25-18-8-5-13(20)11-15(18)19(24)22-14-6-7-17(16(21)12-14)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeySLQWLZZTGTXMCD-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.24
Rot. Bonds4

About 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide

5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide (PubChem CID 1007459) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
PubChem CID1007459
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-25-18-8-5-13(20)11-15(18)19(24)22-14-6-7-17(16(21)12-14)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeySLQWLZZTGTXMCD-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1333237
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660
5-chloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17118184
3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
CID 3922164
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 3967423
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1009742
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-methoxybenzamide
CID 17111799
5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
CID 53140541
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748451
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 2006032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide (CID 1007459) is 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
The InChIKey is SLQWLZZTGTXMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-25-18-8-5-13(20)11-15(18)19(24)22-14-6-7-17(16(21)12-14)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24).
What are the key properties of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide?
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide has a molecular weight of 379.29 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 1007459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).