N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide

C24H23Cl3N2O2 — CID 71214509

IUPACN-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
SMILESNCCCN(Cc1c(Cl)ccc(Cl)c1Cl)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23Cl3N2O2/c25-20-11-12-21(26)23(27)19(20)15-29(14-6-13-28)24(30)18-9-4-5-10-22(18)31-16-17-7-2-1-3-8-17/h1-5,7-12H,6,13-16,28H2
InChIKeyINFXHYFOGHKXKW-UHFFFAOYSA-N
MW477.82 g/mol
LogP6.22
Rot. Bonds9

About N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide

N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide (PubChem CID 71214509) has the molecular formula C24H23Cl3N2O2 and a molecular weight of 477.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
PubChem CID71214509
Molecular FormulaC24H23Cl3N2O2
Molecular Weight477.82 g/mol
Exact Mass476.08
IUPAC NameN-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
SMILESNCCCN(Cc1c(Cl)ccc(Cl)c1Cl)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23Cl3N2O2/c25-20-11-12-21(26)23(27)19(20)15-29(14-6-13-28)24(30)18-9-4-5-10-22(18)31-16-17-7-2-1-3-8-17/h1-5,7-12H,6,13-16,28H2
InChIKeyINFXHYFOGHKXKW-UHFFFAOYSA-N
XLogP6.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.82
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
CID 71214624
N-(3-aminopropyl)-N-[[2-[(4-chlorophenyl)methylsulfanyl]phenyl]methyl]-2-phenylmethoxybenzamide
CID 71214627
N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942
N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
CID 71214568
N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
CID 71214650
N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
CID 71214522
2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide
CID 23019865
2-phenylmethoxybenzoyl chloride
CID 10999355
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide (CID 71214509) is N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide is NCCCN(Cc1c(Cl)ccc(Cl)c1Cl)C(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide?
The InChIKey is INFXHYFOGHKXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N2O2/c25-20-11-12-21(26)23(27)19(20)15-29(14-6-13-28)24(30)18-9-4-5-10-22(18)31-16-17-7-2-1-3-8-17/h1-5,7-12H,6,13-16,28H2.
What are the key properties of N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide?
N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide has a molecular weight of 477.82 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide is sourced from PubChem (CID 71214509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).