N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide

C19H16BrNO — CID 2930699

IUPACN-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H16BrNO/c1-13(14-7-3-2-4-8-14)19(22)21-18-12-11-17(20)15-9-5-6-10-16(15)18/h2-13H,1H3,(H,21,22)
InChIKeyYKLUTUDQXJUJHP-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.34
Rot. Bonds3

About N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide

N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide (PubChem CID 2930699) has the molecular formula C19H16BrNO and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
PubChem CID2930699
Molecular FormulaC19H16BrNO
Molecular Weight354.25 g/mol
Exact Mass353.04
IUPAC NameN-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H16BrNO/c1-13(14-7-3-2-4-8-14)19(22)21-18-12-11-17(20)15-9-5-6-10-16(15)18/h2-13H,1H3,(H,21,22)
InChIKeyYKLUTUDQXJUJHP-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
CID 113349937
N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
CID 113384510
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
2-amino-N-(4-bromonaphthalen-1-yl)butanamide
CID 113384503
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
N-(2-fluoro-4-hydroxyphenyl)-2-phenylpropanamide
CID 104920662
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide
CID 114028820
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide
CID 11508117

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide (CID 2930699) is N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide is CC(C(=O)Nc1ccc(Br)c2ccccc12)c1ccccc1.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide?
The InChIKey is YKLUTUDQXJUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO/c1-13(14-7-3-2-4-8-14)19(22)21-18-12-11-17(20)15-9-5-6-10-16(15)18/h2-13H,1H3,(H,21,22).
What are the key properties of N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide?
N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide has a molecular weight of 354.25 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide is sourced from PubChem (CID 2930699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).