N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide

C22H24NO4P — CID 19700500

IUPACN-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)OCC
InChIInChI=1S/C22H24NO4P/c1-3-26-28(25,27-4-2)16-17-9-13-21(14-10-17)23-22(24)20-12-11-18-7-5-6-8-19(18)15-20/h5-15H,3-4,16H2,1-2H3,(H,23,24)
InChIKeyZVMSBIHQFGQOOG-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.86
Rot. Bonds8

About N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide

N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 19700500) has the molecular formula C22H24NO4P and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
PubChem CID19700500
Molecular FormulaC22H24NO4P
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)OCC
InChIInChI=1S/C22H24NO4P/c1-3-26-28(25,27-4-2)16-17-9-13-21(14-10-17)23-22(24)20-12-11-18-7-5-6-8-19(18)15-20/h5-15H,3-4,16H2,1-2H3,(H,23,24)
InChIKeyZVMSBIHQFGQOOG-UHFFFAOYSA-N
XLogP5.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
CID 177460457
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate
CID 168982141
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
CID 86967497
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
1-benzoyl-N-[4-(diethoxyphosphorylmethyl)phenyl]piperidine-4-carboxamide
CID 3520152
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide (CID 19700500) is N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide is CCOP(=O)(Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)OCC.
What is the InChIKey of N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is ZVMSBIHQFGQOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO4P/c1-3-26-28(25,27-4-2)16-17-9-13-21(14-10-17)23-22(24)20-12-11-18-7-5-6-8-19(18)15-20/h5-15H,3-4,16H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide?
N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 19700500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).