5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide

C24H25ClN2O5 — CID 171910011

IUPAC5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)Nc2cccc(Cl)c2)c(OC)c1OC
InChIInChI=1S/C24H25ClN2O5/c1-29-21-19(24(28)27-17-6-4-5-16(25)13-17)14-20(22(30-2)23(21)31-3)32-18-9-7-15(8-10-18)11-12-26/h4-10,13-14H,11-12,26H2,1-3H3,(H,27,28)
InChIKeyXQKHCIGZOPRFGY-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.91
Rot. Bonds9

About 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide

5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide (PubChem CID 171910011) has the molecular formula C24H25ClN2O5 and a molecular weight of 456.93 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide
PubChem CID171910011
Molecular FormulaC24H25ClN2O5
Molecular Weight456.93 g/mol
Exact Mass456.15
IUPAC Name5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide
SMILESCOc1c(Oc2ccc(CCN)cc2)cc(C(=O)Nc2cccc(Cl)c2)c(OC)c1OC
InChIInChI=1S/C24H25ClN2O5/c1-29-21-19(24(28)27-17-6-4-5-16(25)13-17)14-20(22(30-2)23(21)31-3)32-18-9-7-15(8-10-18)11-12-26/h4-10,13-14H,11-12,26H2,1-3H3,(H,27,28)
InChIKeyXQKHCIGZOPRFGY-UHFFFAOYSA-N
XLogP4.91
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 171910793
5-[4-(2-aminoethyl)phenoxy]-N-(2-ethyl-6-methylphenyl)-2,3,4-trimethoxybenzamide
CID 171910548
5-[4-(2-aminoethyl)phenoxy]-N-(2,3-dihydro-1H-inden-2-yl)-2,3,4-trimethoxybenzamide
CID 171388001
5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxy-N-(1-methylcyclopentyl)benzamide
CID 171916109
5-[4-(2-aminoethyl)phenoxy]-N-cyclopent-2-en-1-yl-2,3,4-trimethoxybenzamide
CID 172674388
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 171386046
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 171991868
4-chloro-2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 17362963

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide (CID 171910011) is 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide is COc1c(Oc2ccc(CCN)cc2)cc(C(=O)Nc2cccc(Cl)c2)c(OC)c1OC.
What is the InChIKey of 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide?
The InChIKey is XQKHCIGZOPRFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5/c1-29-21-19(24(28)27-17-6-4-5-16(25)13-17)14-20(22(30-2)23(21)31-3)32-18-9-7-15(8-10-18)11-12-26/h4-10,13-14H,11-12,26H2,1-3H3,(H,27,28).
What are the key properties of 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide?
5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide has a molecular weight of 456.93 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenoxy]-N-(3-chlorophenyl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 171910011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).