4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide

C33H35FN2O2 — CID 91164375

IUPAC4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)c(-c2ccccc2F)c1
InChIInChI=1S/C33H35FN2O2/c1-25(2)22-35-33(37)28-17-18-32(30(21-28)29-15-9-10-16-31(29)34)38-20-19-36(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-18,21,25H,19-20,22-24H2,1-2H3,(H,35,37)
InChIKeyHKJJLBWLFFYAGJ-UHFFFAOYSA-N
MW510.65 g/mol
LogP6.96
Rot. Bonds12

About 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide

4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide (PubChem CID 91164375) has the molecular formula C33H35FN2O2 and a molecular weight of 510.65 g/mol. Its IUPAC name is 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide
PubChem CID91164375
Molecular FormulaC33H35FN2O2
Molecular Weight510.65 g/mol
Exact Mass510.27
IUPAC Name4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)c(-c2ccccc2F)c1
InChIInChI=1S/C33H35FN2O2/c1-25(2)22-35-33(37)28-17-18-32(30(21-28)29-15-9-10-16-31(29)34)38-20-19-36(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-18,21,25H,19-20,22-24H2,1-2H3,(H,35,37)
InChIKeyHKJJLBWLFFYAGJ-UHFFFAOYSA-N
XLogP6.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.65
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide
CID 123915722
4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 60606761
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
2-[2-(3,4-dimethoxyphenoxy)ethyl-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 25127474
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide (CID 91164375) is 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)c(-c2ccccc2F)c1.
What is the InChIKey of 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide?
The InChIKey is HKJJLBWLFFYAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN2O2/c1-25(2)22-35-33(37)28-17-18-32(30(21-28)29-15-9-10-16-31(29)34)38-20-19-36(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-18,21,25H,19-20,22-24H2,1-2H3,(H,35,37).
What are the key properties of 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide?
4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide has a molecular weight of 510.65 g/mol, XLogP of 6.96, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dibenzylamino)ethoxy]-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 91164375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).