2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide

C17H16Cl3NO4 — CID 112821206

IUPAC2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide
SMILESCOc1ccc(C(C)NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H16Cl3NO4/c1-8(9-4-5-12(24-2)13(6-9)25-3)21-17(23)14-15(20)10(18)7-11(19)16(14)22/h4-8,22H,1-3H3,(H,21,23)
InChIKeyBNLWTFOVXNBFJV-UHFFFAOYSA-N
MW404.68 g/mol
LogP4.86
Rot. Bonds5

About 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide

2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide (PubChem CID 112821206) has the molecular formula C17H16Cl3NO4 and a molecular weight of 404.68 g/mol. Its IUPAC name is 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide
PubChem CID112821206
Molecular FormulaC17H16Cl3NO4
Molecular Weight404.68 g/mol
Exact Mass403.01
IUPAC Name2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide
SMILESCOc1ccc(C(C)NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H16Cl3NO4/c1-8(9-4-5-12(24-2)13(6-9)25-3)21-17(23)14-15(20)10(18)7-11(19)16(14)22/h4-8,22H,1-3H3,(H,21,23)
InChIKeyBNLWTFOVXNBFJV-UHFFFAOYSA-N
XLogP4.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.68
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 78853112
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide?
The IUPAC name of 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide (CID 112821206) is 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide.
What is the SMILES notation for 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide?
The canonical SMILES for 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide is COc1ccc(C(C)NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1OC.
What is the InChIKey of 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide?
The InChIKey is BNLWTFOVXNBFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO4/c1-8(9-4-5-12(24-2)13(6-9)25-3)21-17(23)14-15(20)10(18)7-11(19)16(14)22/h4-8,22H,1-3H3,(H,21,23).
What are the key properties of 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide?
2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide has a molecular weight of 404.68 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide is sourced from PubChem (CID 112821206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).