N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

C29H27FNO4P — CID 11827251

IUPACN-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(CP(=O)(c2ccccc2)c2ccccc2)C(=O)c2c(F)cccc2OC)cc1
InChIInChI=1S/C29H27FNO4P/c1-34-23-18-16-22(17-19-23)20-31(29(32)28-26(30)14-9-15-27(28)35-2)21-36(33,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-19H,20-21H2,1-2H3
InChIKeyIGJYGLCXSKAQHC-UHFFFAOYSA-N
MW503.51 g/mol
LogP5.46
Rot. Bonds9

About N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 11827251) has the molecular formula C29H27FNO4P and a molecular weight of 503.51 g/mol. Its IUPAC name is N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID11827251
Molecular FormulaC29H27FNO4P
Molecular Weight503.51 g/mol
Exact Mass503.17
IUPAC NameN-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(CP(=O)(c2ccccc2)c2ccccc2)C(=O)c2c(F)cccc2OC)cc1
InChIInChI=1S/C29H27FNO4P/c1-34-23-18-16-22(17-19-23)20-31(29(32)28-26(30)14-9-15-27(28)35-2)21-36(33,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-19H,20-21H2,1-2H3
InChIKeyIGJYGLCXSKAQHC-UHFFFAOYSA-N
XLogP5.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 60678107
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
2-ethoxy-N-[2-[ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55593757
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
CID 10882664
2-fluoro-6-hydroxybenzoic acid;2-fluoro-6-hydroxy-N-methoxy-N-methylbenzamide;2-fluoro-N-methoxy-6-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 160686333

Frequently Asked Questions

What is the IUPAC name of N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 11827251) is N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(CP(=O)(c2ccccc2)c2ccccc2)C(=O)c2c(F)cccc2OC)cc1.
What is the InChIKey of N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is IGJYGLCXSKAQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FNO4P/c1-34-23-18-16-22(17-19-23)20-31(29(32)28-26(30)14-9-15-27(28)35-2)21-36(33,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-19H,20-21H2,1-2H3.
What are the key properties of N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 503.51 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenylphosphorylmethyl)-2-fluoro-6-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 11827251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).