(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide

C19H15Br2NO2 — CID 40736848

IUPAC(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15Br2NO2/c1-12(24-18-9-7-15(20)11-17(18)21)19(23)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeySIFXYGAKYOWVJM-LBPRGKRZSA-N
MW449.14 g/mol
LogP5.77
Rot. Bonds4

About (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide

(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide (PubChem CID 40736848) has the molecular formula C19H15Br2NO2 and a molecular weight of 449.14 g/mol. Its IUPAC name is (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
PubChem CID40736848
Molecular FormulaC19H15Br2NO2
Molecular Weight449.14 g/mol
Exact Mass446.95
IUPAC Name(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15Br2NO2/c1-12(24-18-9-7-15(20)11-17(18)21)19(23)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeySIFXYGAKYOWVJM-LBPRGKRZSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.14
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 11839379
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 5043403
(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
CID 7762913
2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
CID 43887726
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55418069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide (CID 40736848) is (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide is C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide?
The InChIKey is SIFXYGAKYOWVJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H15Br2NO2/c1-12(24-18-9-7-15(20)11-17(18)21)19(23)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide?
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide has a molecular weight of 449.14 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 40736848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).