4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide

C14H19Cl2N3O — CID 89320280

IUPAC4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide
SMILESCNC1(CNC(=O)c2ccc(Cl)cc2)CCN(Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-17-14(6-8-19(16)9-7-14)10-18-13(20)11-2-4-12(15)5-3-11/h2-5,17H,6-10H2,1H3,(H,18,20)
InChIKeyDHZATKKFGCKECP-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide

4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide (PubChem CID 89320280) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide
PubChem CID89320280
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide
SMILESCNC1(CNC(=O)c2ccc(Cl)cc2)CCN(Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-17-14(6-8-19(16)9-7-14)10-18-13(20)11-2-4-12(15)5-3-11/h2-5,17H,6-10H2,1H3,(H,18,20)
InChIKeyDHZATKKFGCKECP-UHFFFAOYSA-N
XLogP2.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
CID 138013204
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
4-carbamothioyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107164094
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide (CID 89320280) is 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide is CNC1(CNC(=O)c2ccc(Cl)cc2)CCN(Cl)CC1.
What is the InChIKey of 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide?
The InChIKey is DHZATKKFGCKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-17-14(6-8-19(16)9-7-14)10-18-13(20)11-2-4-12(15)5-3-11/h2-5,17H,6-10H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide?
4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide has a molecular weight of 316.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-chloro-4-(methylamino)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 89320280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).