2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride

C20H21Cl3N3O2- — CID 53347149

IUPAC2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride
SMILESO=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1Cl.[Cl-]
InChIInChI=1S/C20H21Cl2N3O2.ClH/c21-16-7-3-2-6-15(16)20(27)23-14-8-9-18(17(22)12-14)24-19(26)13-25-10-4-1-5-11-25;/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,27)(H,24,26);1H/p-1
InChIKeyHJGMDPBCJNXGBM-UHFFFAOYSA-M
MW441.77 g/mol
LogP1.67
Rot. Bonds5

About 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride

2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride (PubChem CID 53347149) has the molecular formula C20H21Cl3N3O2- and a molecular weight of 441.77 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride
PubChem CID53347149
Molecular FormulaC20H21Cl3N3O2-
Molecular Weight441.77 g/mol
Exact Mass440.07
IUPAC Name2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride
SMILESO=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1Cl.[Cl-]
InChIInChI=1S/C20H21Cl2N3O2.ClH/c21-16-7-3-2-6-15(16)20(27)23-14-8-9-18(17(22)12-14)24-19(26)13-25-10-4-1-5-11-25;/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,27)(H,24,26);1H/p-1
InChIKeyHJGMDPBCJNXGBM-UHFFFAOYSA-M
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.77
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
CID 119946943
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride?
The IUPAC name of 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride (CID 53347149) is 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride?
The canonical SMILES for 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride is O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1Cl.[Cl-].
What is the InChIKey of 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride?
The InChIKey is HJGMDPBCJNXGBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21Cl2N3O2.ClH/c21-16-7-3-2-6-15(16)20(27)23-14-8-9-18(17(22)12-14)24-19(26)13-25-10-4-1-5-11-25;/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,27)(H,24,26);1H/p-1.
What are the key properties of 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride?
2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride has a molecular weight of 441.77 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride is sourced from PubChem (CID 53347149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).