3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide

C21H20ClNO3 — CID 112768599

IUPAC3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2ccc3ccccc3c2)cc(Cl)c1O
InChIInChI=1S/C21H20ClNO3/c1-3-26-19-12-17(11-18(22)20(19)24)21(25)23-13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-13,24H,3H2,1-2H3,(H,23,25)
InChIKeyVRTJNYHOJKWESN-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.09
Rot. Bonds5

About 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide

3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide (PubChem CID 112768599) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide
PubChem CID112768599
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2ccc3ccccc3c2)cc(Cl)c1O
InChIInChI=1S/C21H20ClNO3/c1-3-26-19-12-17(11-18(22)20(19)24)21(25)23-13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-13,24H,3H2,1-2H3,(H,23,25)
InChIKeyVRTJNYHOJKWESN-UHFFFAOYSA-N
XLogP5.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
3-chloro-5-ethoxy-4-hydroxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 75457095
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 43010464
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide?
The IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide (CID 112768599) is 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide?
The canonical SMILES for 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide is CCOc1cc(C(=O)NC(C)c2ccc3ccccc3c2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide?
The InChIKey is VRTJNYHOJKWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-3-26-19-12-17(11-18(22)20(19)24)21(25)23-13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-13,24H,3H2,1-2H3,(H,23,25).
What are the key properties of 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide?
3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide has a molecular weight of 369.85 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-hydroxy-N-(1-naphthalen-2-ylethyl)benzamide is sourced from PubChem (CID 112768599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).