3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C20H22Cl2N2O2 — CID 3310069

IUPAC3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-26-19-17(21)11-15(12-18(19)22)20(25)23-16-7-5-14(6-8-16)13-24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)
InChIKeyQEQNXJLXONOZQR-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.24
Rot. Bonds5

About 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 3310069) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID3310069
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-26-19-17(21)11-15(12-18(19)22)20(25)23-16-7-5-14(6-8-16)13-24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)
InChIKeyQEQNXJLXONOZQR-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 16599312
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
3-chloro-4-ethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3316284
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 3310069) is 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is COc1c(Cl)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is QEQNXJLXONOZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-26-19-17(21)11-15(12-18(19)22)20(25)23-16-7-5-14(6-8-16)13-24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25).
What are the key properties of 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 393.31 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 3310069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).