N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide

C24H24ClFN2O2 — CID 71214624

IUPACN-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
SMILESNCCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24ClFN2O2/c25-21-15-19(11-12-22(21)26)16-28(14-6-13-27)24(29)20-9-4-5-10-23(20)30-17-18-7-2-1-3-8-18/h1-5,7-12,15H,6,13-14,16-17,27H2
InChIKeyQTZBDANORIAIAC-UHFFFAOYSA-N
MW426.92 g/mol
LogP5.05
Rot. Bonds9

About N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide

N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide (PubChem CID 71214624) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
PubChem CID71214624
Molecular FormulaC24H24ClFN2O2
Molecular Weight426.92 g/mol
Exact Mass426.15
IUPAC NameN-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
SMILESNCCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24ClFN2O2/c25-21-15-19(11-12-22(21)26)16-28(14-6-13-27)24(29)20-9-4-5-10-23(20)30-17-18-7-2-1-3-8-18/h1-5,7-12,15H,6,13-14,16-17,27H2
InChIKeyQTZBDANORIAIAC-UHFFFAOYSA-N
XLogP5.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
CID 71214509
N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
CID 71214650
N-(3-aminopropyl)-N-[[2-[(4-chlorophenyl)methylsulfanyl]phenyl]methyl]-2-phenylmethoxybenzamide
CID 71214627
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-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
CID 71214522
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
2-[(4-fluorophenyl)methoxy]-N,N-dipropylbenzamide
CID 13073631
1-(2-aminoethyl)-1-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 69411081
N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide
CID 71214567

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide (CID 71214624) is N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide is NCCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide?
The InChIKey is QTZBDANORIAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O2/c25-21-15-19(11-12-22(21)26)16-28(14-6-13-27)24(29)20-9-4-5-10-23(20)30-17-18-7-2-1-3-8-18/h1-5,7-12,15H,6,13-14,16-17,27H2.
What are the key properties of N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide?
N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide has a molecular weight of 426.92 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 71214624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).