N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide

C28H32FN3O4 — CID 44590340

IUPACN-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC(C)CN(C)C)c2ccccc2F)c(OC)c1
InChIInChI=1S/C28H32FN3O4/c1-19(18-31(2)3)30-27(33)26(22-13-9-10-14-23(22)29)32(28(34)20-11-7-6-8-12-20)24-16-15-21(35-4)17-25(24)36-5/h6-17,19,26H,18H2,1-5H3,(H,30,33)
InChIKeyMZAHUXATQGDNPE-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.30
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide

N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide (PubChem CID 44590340) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide
PubChem CID44590340
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC NameN-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC(C)CN(C)C)c2ccccc2F)c(OC)c1
InChIInChI=1S/C28H32FN3O4/c1-19(18-31(2)3)30-27(33)26(22-13-9-10-14-23(22)29)32(28(34)20-11-7-6-8-12-20)24-16-15-21(35-4)17-25(24)36-5/h6-17,19,26H,18H2,1-5H3,(H,30,33)
InChIKeyMZAHUXATQGDNPE-UHFFFAOYSA-N
XLogP4.30
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide (CID 44590340) is N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide is COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC(C)CN(C)C)c2ccccc2F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide?
The InChIKey is MZAHUXATQGDNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-19(18-31(2)3)30-27(33)26(22-13-9-10-14-23(22)29)32(28(34)20-11-7-6-8-12-20)24-16-15-21(35-4)17-25(24)36-5/h6-17,19,26H,18H2,1-5H3,(H,30,33).
What are the key properties of N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide?
N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide has a molecular weight of 493.58 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 44590340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).