[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate

C19H15BrN2O3 — CID 7149341

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
SMILESNc1ccc(Br)cc1C(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15BrN2O3/c20-14-6-8-17(21)16(10-14)19(24)25-11-18(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11,21H2,(H,22,23)
InChIKeyWPKUXPYKGKQLDP-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.98
Rot. Bonds4

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate (PubChem CID 7149341) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
PubChem CID7149341
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
SMILESNc1ccc(Br)cc1C(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15BrN2O3/c20-14-6-8-17(21)16(10-14)19(24)25-11-18(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11,21H2,(H,22,23)
InChIKeyWPKUXPYKGKQLDP-UHFFFAOYSA-N
XLogP3.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803664
[2-(3-acetamidoanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149168
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149328
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149287
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530967
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149322
[2-(2-methylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149309
[2-(2-ethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149336
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796123
[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570723
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate
CID 21232723

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate (CID 7149341) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate is Nc1ccc(Br)cc1C(=O)OCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate?
The InChIKey is WPKUXPYKGKQLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c20-14-6-8-17(21)16(10-14)19(24)25-11-18(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11,21H2,(H,22,23).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate has a molecular weight of 399.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate is sourced from PubChem (CID 7149341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).