N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide

C22H19Cl3N2O2 — CID 122196558

IUPACN-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide
SMILESNCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19Cl3N2O2/c23-16-3-1-15(2-4-16)14-29-19-8-6-18(7-9-19)27(12-11-26)22(28)20-10-5-17(24)13-21(20)25/h1-10,13H,11-12,14,26H2
InChIKeyKKZDZTJFDLFERF-UHFFFAOYSA-N
MW449.77 g/mol
LogP5.83
Rot. Bonds7

About N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide

N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide (PubChem CID 122196558) has the molecular formula C22H19Cl3N2O2 and a molecular weight of 449.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide
PubChem CID122196558
Molecular FormulaC22H19Cl3N2O2
Molecular Weight449.77 g/mol
Exact Mass448.05
IUPAC NameN-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide
SMILESNCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19Cl3N2O2/c23-16-3-1-15(2-4-16)14-29-19-8-6-18(7-9-19)27(12-11-26)22(28)20-10-5-17(24)13-21(20)25/h1-10,13H,11-12,14,26H2
InChIKeyKKZDZTJFDLFERF-UHFFFAOYSA-N
XLogP5.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide (CID 122196558) is N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide is NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide?
The InChIKey is KKZDZTJFDLFERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O2/c23-16-3-1-15(2-4-16)14-29-19-8-6-18(7-9-19)27(12-11-26)22(28)20-10-5-17(24)13-21(20)25/h1-10,13H,11-12,14,26H2.
What are the key properties of N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide?
N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide has a molecular weight of 449.77 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-dichloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]benzamide is sourced from PubChem (CID 122196558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).