N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide

C26H27FN2O5 — CID 44590445

IUPACN-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m1/s1
InChIKeyYOEOOUFATDSPPW-BPNWFJGMSA-N
MW466.51 g/mol
LogP3.73
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide

N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide (PubChem CID 44590445) has the molecular formula C26H27FN2O5 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
PubChem CID44590445
Molecular FormulaC26H27FN2O5
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC NameN-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m1/s1
InChIKeyYOEOOUFATDSPPW-BPNWFJGMSA-N
XLogP3.73
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide (CID 44590445) is N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide is COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The InChIKey is YOEOOUFATDSPPW-BPNWFJGMSA-N. The full InChI is InChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide has a molecular weight of 466.51 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 44590445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).