N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C28H31FN2O5 — CID 27811097

IUPACN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C28H31FN2O5/c1-33-25-16-22(17-26(34-2)27(25)36-19-20-6-4-3-5-7-20)28(32)30-18-24(31-12-14-35-15-13-31)21-8-10-23(29)11-9-21/h3-11,16-17,24H,12-15,18-19H2,1-2H3,(H,30,32)/t24-/m1/s1
InChIKeyZXDOWXGFXOXAQF-XMMPIXPASA-N
MW494.56 g/mol
LogP4.23
Rot. Bonds10

About N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 27811097) has the molecular formula C28H31FN2O5 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID27811097
Molecular FormulaC28H31FN2O5
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C28H31FN2O5/c1-33-25-16-22(17-26(34-2)27(25)36-19-20-6-4-3-5-7-20)28(32)30-18-24(31-12-14-35-15-13-31)21-8-10-23(29)11-9-21/h3-11,16-17,24H,12-15,18-19H2,1-2H3,(H,30,32)/t24-/m1/s1
InChIKeyZXDOWXGFXOXAQF-XMMPIXPASA-N
XLogP4.23
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55348277
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
3-[(4-fluorophenyl)methoxy]-N-(2-morpholin-4-ylpropyl)benzamide
CID 55612328
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenoxymethyl)benzamide
CID 55331648
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 43006651
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide
CID 43006626

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 27811097) is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is ZXDOWXGFXOXAQF-XMMPIXPASA-N. The full InChI is InChI=1S/C28H31FN2O5/c1-33-25-16-22(17-26(34-2)27(25)36-19-20-6-4-3-5-7-20)28(32)30-18-24(31-12-14-35-15-13-31)21-8-10-23(29)11-9-21/h3-11,16-17,24H,12-15,18-19H2,1-2H3,(H,30,32)/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 494.56 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 27811097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).