N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide

C28H31FN2O5 — CID 141436174

IUPACN-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)c(F)c2)cc1OCc1ccccc1
InChIInChI=1S/C28H31FN2O5/c1-33-26-10-8-22(18-27(26)36-20-21-6-3-2-4-7-21)28(32)30-23-9-11-25(24(29)19-23)35-15-5-12-31-13-16-34-17-14-31/h2-4,6-11,18-19H,5,12-17,20H2,1H3,(H,30,32)
InChIKeyIHLCPQVVZGVBFG-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.77
Rot. Bonds11

About N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide

N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide (PubChem CID 141436174) has the molecular formula C28H31FN2O5 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
PubChem CID141436174
Molecular FormulaC28H31FN2O5
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC NameN-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)c(F)c2)cc1OCc1ccccc1
InChIInChI=1S/C28H31FN2O5/c1-33-26-10-8-22(18-27(26)36-20-21-6-3-2-4-7-21)28(32)30-23-9-11-25(24(29)19-23)35-15-5-12-31-13-16-34-17-14-31/h2-4,6-11,18-19H,5,12-17,20H2,1H3,(H,30,32)
InChIKeyIHLCPQVVZGVBFG-UHFFFAOYSA-N
XLogP4.77
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide
CID 174448103
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-phenylbutanamide
CID 59791949
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide
CID 141425677
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846737
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide?
The IUPAC name of N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide (CID 141436174) is N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide?
The canonical SMILES for N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide is COc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)c(F)c2)cc1OCc1ccccc1.
What is the InChIKey of N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide?
The InChIKey is IHLCPQVVZGVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O5/c1-33-26-10-8-22(18-27(26)36-20-21-6-3-2-4-7-21)28(32)30-23-9-11-25(24(29)19-23)35-15-5-12-31-13-16-34-17-14-31/h2-4,6-11,18-19H,5,12-17,20H2,1H3,(H,30,32).
What are the key properties of N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide?
N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide has a molecular weight of 494.56 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide is sourced from PubChem (CID 141436174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).