(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one

C14H15ClNO3P — CID 58369210

IUPAC(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
SMILESCC(=O)[C@H](C)NP(=O)(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C14H15ClNO3P/c1-10(11(2)17)16-20(15,18)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,16,18)/t10-,20?/m0/s1
InChIKeyLVXOHIOAUAKOIF-SMNKDYLDSA-N
MW311.71 g/mol
LogP4.13
Rot. Bonds5

About (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one

(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one (PubChem CID 58369210) has the molecular formula C14H15ClNO3P and a molecular weight of 311.71 g/mol. Its IUPAC name is (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one.

Molecular Properties

Compound Name(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
PubChem CID58369210
Molecular FormulaC14H15ClNO3P
Molecular Weight311.71 g/mol
Exact Mass311.05
IUPAC Name(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
SMILESCC(=O)[C@H](C)NP(=O)(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C14H15ClNO3P/c1-10(11(2)17)16-20(15,18)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,16,18)/t10-,20?/m0/s1
InChIKeyLVXOHIOAUAKOIF-SMNKDYLDSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 59483399
methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate
CID 11502299
cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
CID 87148068
[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
CID 87147881
2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 122532077
3-chloropropyl 2-[[(2-methyl-3-oxobutoxy)-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 123688107
[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
CID 87292222
cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate
CID 87147629
(2S)-2-[[naphthalen-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoic acid
CID 138491690
2-methylpropyl 2-[[chloro-(2-chlorophenoxy)phosphoryl]amino]propanoate
CID 123543136
benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
CID 146653962
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate
CID 122527458

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one?
The IUPAC name of (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one (CID 58369210) is (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one.
What is the SMILES notation for (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one?
The canonical SMILES for (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one is CC(=O)[C@H](C)NP(=O)(Cl)Oc1cccc2ccccc12.
What is the InChIKey of (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one?
The InChIKey is LVXOHIOAUAKOIF-SMNKDYLDSA-N. The full InChI is InChI=1S/C14H15ClNO3P/c1-10(11(2)17)16-20(15,18)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,16,18)/t10-,20?/m0/s1.
What are the key properties of (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one?
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one has a molecular weight of 311.71 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one is sourced from PubChem (CID 58369210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).