[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate

C19H17ClNO5P — CID 123775354

IUPAC[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate
SMILESCOP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C19H17ClNO5P/c1-12-9-15(20)7-8-17(12)21-19(22)16-10-13-5-3-4-6-14(13)11-18(16)26-27(23,24)25-2/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyLOALFNCYCLZEEN-UHFFFAOYSA-N
MW405.77 g/mol
LogP5.18
Rot. Bonds5

About [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate

[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate (PubChem CID 123775354) has the molecular formula C19H17ClNO5P and a molecular weight of 405.77 g/mol. Its IUPAC name is [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate.

Molecular Properties

Compound Name[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate
PubChem CID123775354
Molecular FormulaC19H17ClNO5P
Molecular Weight405.77 g/mol
Exact Mass405.05
IUPAC Name[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate
SMILESCOP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C19H17ClNO5P/c1-12-9-15(20)7-8-17(12)21-19(22)16-10-13-5-3-4-6-14(13)11-18(16)26-27(23,24)25-2/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyLOALFNCYCLZEEN-UHFFFAOYSA-N
XLogP5.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.77
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
2-Anthracenecarboxamide, N-(2-methylphenyl)-3-(phosphonooxy)-, sodium salt (1:2)
CID 131864598
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
N-(2-methylphenyl)-3-[2-oxo-2-(propylamino)ethoxy]naphthalene-2-carboxamide
CID 7893630
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate?
The IUPAC name of [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate (CID 123775354) is [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate.
What is the SMILES notation for [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate?
The canonical SMILES for [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate is COP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate?
The InChIKey is LOALFNCYCLZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClNO5P/c1-12-9-15(20)7-8-17(12)21-19(22)16-10-13-5-3-4-6-14(13)11-18(16)26-27(23,24)25-2/h3-11H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate?
[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate has a molecular weight of 405.77 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate is sourced from PubChem (CID 123775354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).