2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide

C19H15BrClNO2 — CID 17231996

IUPAC2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15BrClNO2/c1-12(24-18-9-7-15(21)11-17(18)20)19(23)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23)
InChIKeyJTYNPSATYYKVEZ-UHFFFAOYSA-N
MW404.69 g/mol
LogP5.66
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide

2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide (PubChem CID 17231996) has the molecular formula C19H15BrClNO2 and a molecular weight of 404.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
PubChem CID17231996
Molecular FormulaC19H15BrClNO2
Molecular Weight404.69 g/mol
Exact Mass403.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15BrClNO2/c1-12(24-18-9-7-15(21)11-17(18)20)19(23)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23)
InChIKeyJTYNPSATYYKVEZ-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide (CID 17231996) is 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide?
The InChIKey is JTYNPSATYYKVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO2/c1-12(24-18-9-7-15(21)11-17(18)20)19(23)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide?
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide has a molecular weight of 404.69 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 17231996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).