N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide

C20H23Cl2N3O2 — CID 77106978

IUPACN-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide
SMILESNc1ccc(NC(=O)c2cc(Cl)ccc2OCCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c21-14-1-4-19(27-10-7-13-5-8-24-9-6-13)16(11-14)20(26)25-18-3-2-15(23)12-17(18)22/h1-4,11-13,24H,5-10,23H2,(H,25,26)
InChIKeyUJYHZCWNZZIBBH-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.60
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide

N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide (PubChem CID 77106978) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide
PubChem CID77106978
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide
SMILESNc1ccc(NC(=O)c2cc(Cl)ccc2OCCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c21-14-1-4-19(27-10-7-13-5-8-24-9-6-13)16(11-14)20(26)25-18-3-2-15(23)12-17(18)22/h1-4,11-13,24H,5-10,23H2,(H,25,26)
InChIKeyUJYHZCWNZZIBBH-UHFFFAOYSA-N
XLogP4.60
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
CID 54795643
5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-piperazin-1-ylethoxy)benzamide
CID 118583135
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
2-(2-aminoethoxy)-5-chloro-N-(2-chloro-4-methylphenyl)benzamide;5-chloro-N-(2-chloro-4-methylphenyl)-2-(2-morpholin-4-ylethoxy)benzamide;tetrakis(5-chloro-N-(2-chloro-4-methylphenyl)-2-piperidin-4-yloxybenzamide)
CID 158264393
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
CID 56830089

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide (CID 77106978) is N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide is Nc1ccc(NC(=O)c2cc(Cl)ccc2OCCC2CCNCC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide?
The InChIKey is UJYHZCWNZZIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c21-14-1-4-19(27-10-7-13-5-8-24-9-6-13)16(11-14)20(26)25-18-3-2-15(23)12-17(18)22/h1-4,11-13,24H,5-10,23H2,(H,25,26).
What are the key properties of N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide?
N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide has a molecular weight of 408.33 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide is sourced from PubChem (CID 77106978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).