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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Related Compounds

(2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648317
4-Chloro-4'-ethoxybenzanilide
CID 587141
2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-phenoxyethyl)benzamide
CID 10409583
(2S)-3-(3-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648318
(2S)-3-(2-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648319
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-phenylpiperidin-4-yl)methyl]benzamide
CID 11260802
4-(4-Chlorobenzoyl)-1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperazin-2-one;hydrochloride
CID 24749960
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924
2-Chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 600466
4-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 2741842
2-(4-chlorophenyl)-N-(4-(3-morpholinopropoxy)phenyl)acetamide
CID 25014698
2-amino-5-[4-[(4-chlorobenzoyl)amino]phenoxy]-N-methylbenzamide
CID 73504975

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).