[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate

C18H21FNO4P — CID 169170523

IUPAC[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOPC(F)c1ccc2ccc(C(N)=O)cc2c1
InChIInChI=1S/C18H21FNO4P/c1-18(2,3)17(22)23-10-24-25-15(19)12-6-4-11-5-7-13(16(20)21)9-14(11)8-12/h4-9,15,25H,10H2,1-3H3,(H2,20,21)
InChIKeyBOUAOSHPYDRTIN-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.06
Rot. Bonds6

About [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate

[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate (PubChem CID 169170523) has the molecular formula C18H21FNO4P and a molecular weight of 365.34 g/mol. Its IUPAC name is [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate
PubChem CID169170523
Molecular FormulaC18H21FNO4P
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOPC(F)c1ccc2ccc(C(N)=O)cc2c1
InChIInChI=1S/C18H21FNO4P/c1-18(2,3)17(22)23-10-24-25-15(19)12-6-4-11-5-7-13(16(20)21)9-14(11)8-12/h4-9,15,25H,10H2,1-3H3,(H2,20,21)
InChIKeyBOUAOSHPYDRTIN-UHFFFAOYSA-N
XLogP4.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium
CID 169171155
6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
CID 91429905
[[(R)-1-benzothiophen-5-yl(fluoro)methyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 176768531
tert-butyl 7-[diethoxyphosphoryl(fluoro)methyl]naphthalene-2-carboxylate
CID 169170830
tetracene-2-carboxamide;hydrobromide
CID 22400124
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
S-[2-[[(7-carbamoylnaphthalen-2-yl)-difluoromethyl]-(2-sulfanylethoxy)phosphanyl]oxyethyl] 2,2-dimethylpropanethioate
CID 169171026
4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide
CID 157435592
4-tert-butyl-3-(methylaminomethylamino)benzamide
CID 19348699
4-(3-methylpentan-2-yl)benzamide
CID 126657369
4-(2-fluoropropylsulfanyl)benzamide
CID 155718332

Frequently Asked Questions

What is the IUPAC name of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate?
The IUPAC name of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate (CID 169170523) is [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOPC(F)c1ccc2ccc(C(N)=O)cc2c1.
What is the InChIKey of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate?
The InChIKey is BOUAOSHPYDRTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FNO4P/c1-18(2,3)17(22)23-10-24-25-15(19)12-6-4-11-5-7-13(16(20)21)9-14(11)8-12/h4-9,15,25H,10H2,1-3H3,(H2,20,21).
What are the key properties of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate?
[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate has a molecular weight of 365.34 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 169170523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).