(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide

C20H16BrNO3 — CID 7763312

IUPAC(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1C=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrNO3/c1-13(20(24)22-16-9-7-15(21)8-10-16)25-19-11-6-14-4-2-3-5-17(14)18(19)12-23/h2-13H,1H3,(H,22,24)/t13-/m0/s1
InChIKeyVULQDZQRNPSDMD-ZDUSSCGKSA-N
MW398.26 g/mol
LogP4.82
Rot. Bonds5

About (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide

(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide (PubChem CID 7763312) has the molecular formula C20H16BrNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
PubChem CID7763312
Molecular FormulaC20H16BrNO3
Molecular Weight398.26 g/mol
Exact Mass397.03
IUPAC Name(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1C=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrNO3/c1-13(20(24)22-16-9-7-15(21)8-10-16)25-19-11-6-14-4-2-3-5-17(14)18(19)12-23/h2-13H,1H3,(H,22,24)/t13-/m0/s1
InChIKeyVULQDZQRNPSDMD-ZDUSSCGKSA-N
XLogP4.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
CID 7763394
(2R)-N-cyclopentyl-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763358
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763186
(2S)-N-(4-bromophenyl)-2-(4-formyl-2-methoxyphenoxy)propanamide
CID 7894186
(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
CID 43915601
methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
CID 119049617
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
CID 7762913
2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126369367
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide (CID 7763312) is (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide is C[C@H](Oc1ccc2ccccc2c1C=O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide?
The InChIKey is VULQDZQRNPSDMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16BrNO3/c1-13(20(24)22-16-9-7-15(21)8-10-16)25-19-11-6-14-4-2-3-5-17(14)18(19)12-23/h2-13H,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide?
(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide has a molecular weight of 398.26 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide is sourced from PubChem (CID 7763312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).