N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide

C25H27FN2O2 — CID 71214650

IUPACN-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2ccc(F)cc2)c1
InChIInChI=1S/C25H27FN2O2/c1-19-6-4-7-21(16-19)18-30-24-9-3-2-8-23(24)25(29)28(15-5-14-27)17-20-10-12-22(26)13-11-20/h2-4,6-13,16H,5,14-15,17-18,27H2,1H3
InChIKeyUYDWOEAXXQUDRF-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.70
Rot. Bonds9

About N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide

N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide (PubChem CID 71214650) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
PubChem CID71214650
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC NameN-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2ccc(F)cc2)c1
InChIInChI=1S/C25H27FN2O2/c1-19-6-4-7-21(16-19)18-30-24-9-3-2-8-23(24)25(29)28(15-5-14-27)17-20-10-12-22(26)13-11-20/h2-4,6-13,16H,5,14-15,17-18,27H2,1H3
InChIKeyUYDWOEAXXQUDRF-UHFFFAOYSA-N
XLogP4.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
CID 71214624
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-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
CID 71214522
N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
CID 71214568
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7399136
2-[(4-fluorophenyl)methoxy]-N,N-dipropylbenzamide
CID 13073631
N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
CID 71214509
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(3-aminopropyl)-N-[[2-[(4-chlorophenyl)methylsulfanyl]phenyl]methyl]-2-phenylmethoxybenzamide
CID 71214627
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide (CID 71214650) is N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is UYDWOEAXXQUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-19-6-4-7-21(16-19)18-30-24-9-3-2-8-23(24)25(29)28(15-5-14-27)17-20-10-12-22(26)13-11-20/h2-4,6-13,16H,5,14-15,17-18,27H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide?
N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 406.50 g/mol, XLogP of 4.70, 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-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 71214650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).