[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

C20H16BrNO3 — CID 7698066

IUPAC[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrNO3/c1-13(19(23)22-18-10-8-17(21)9-11-18)25-20(24)16-7-6-14-4-2-3-5-15(14)12-16/h2-13H,1H3,(H,22,23)/t13-/m1/s1
InChIKeyRUAPEJXKYXVDNR-CYBMUJFWSA-N
MW398.26 g/mol
LogP4.79
Rot. Bonds4

About [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate (PubChem CID 7698066) has the molecular formula C20H16BrNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
PubChem CID7698066
Molecular FormulaC20H16BrNO3
Molecular Weight398.26 g/mol
Exact Mass397.03
IUPAC Name[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrNO3/c1-13(19(23)22-18-10-8-17(21)9-11-18)25-20(24)16-7-6-14-4-2-3-5-15(14)12-16/h2-13H,1H3,(H,22,23)/t13-/m1/s1
InChIKeyRUAPEJXKYXVDNR-CYBMUJFWSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890211
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972159
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781090
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 7709562
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-chloroquinoline-6-carboxylate
CID 55730251
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507813
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966531
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507617
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 7959903
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 46629707
[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
CID 18090823

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate?
The IUPAC name of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate (CID 7698066) is [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate is C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate?
The InChIKey is RUAPEJXKYXVDNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16BrNO3/c1-13(19(23)22-18-10-8-17(21)9-11-18)25-20(24)16-7-6-14-4-2-3-5-15(14)12-16/h2-13H,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate?
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate has a molecular weight of 398.26 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate is sourced from PubChem (CID 7698066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).