3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C19H15Cl2NO2 — CID 59038441

IUPAC3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)c(O)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C19H15Cl2NO2/c1-11(14-8-4-6-12-5-2-3-7-15(12)14)22-19(24)13-9-16(20)18(23)17(21)10-13/h2-11,23H,1H3,(H,22,24)/t11-/m1/s1
InChIKeyRZRCDDOBAXVWJS-LLVKDONJSA-N
MW360.24 g/mol
LogP5.34
Rot. Bonds3

About 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 59038441) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID59038441
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)c(O)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C19H15Cl2NO2/c1-11(14-8-4-6-12-5-2-3-7-15(12)14)22-19(24)13-9-16(20)18(23)17(21)10-13/h2-11,23H,1H3,(H,22,24)/t11-/m1/s1
InChIKeyRZRCDDOBAXVWJS-LLVKDONJSA-N
XLogP5.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate
CID 20714751
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
2-[[2-chloro-4-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoyl]amino]-2-dimethoxyphosphorylacetic acid
CID 59038392
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 59038441) is 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is C[C@@H](NC(=O)c1cc(Cl)c(O)c(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is RZRCDDOBAXVWJS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-11(14-8-4-6-12-5-2-3-7-15(12)14)22-19(24)13-9-16(20)18(23)17(21)10-13/h2-11,23H,1H3,(H,22,24)/t11-/m1/s1.
What are the key properties of 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 360.24 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 59038441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).