2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide

C19H19Cl3N2O3 — CID 112821498

IUPAC2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1
InChIInChI=1S/C19H19Cl3N2O3/c1-3-24(4-2)19(27)12-7-5-11(6-8-12)10-23-18(26)15-16(22)13(20)9-14(21)17(15)25/h5-9,25H,3-4,10H2,1-2H3,(H,23,26)
InChIKeyCZMWKPZKZBIGLM-UHFFFAOYSA-N
MW429.73 g/mol
LogP4.76
Rot. Bonds6

About 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide

2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide (PubChem CID 112821498) has the molecular formula C19H19Cl3N2O3 and a molecular weight of 429.73 g/mol. Its IUPAC name is 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
PubChem CID112821498
Molecular FormulaC19H19Cl3N2O3
Molecular Weight429.73 g/mol
Exact Mass428.05
IUPAC Name2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1
InChIInChI=1S/C19H19Cl3N2O3/c1-3-24(4-2)19(27)12-7-5-11(6-8-12)10-23-18(26)15-16(22)13(20)9-14(21)17(15)25/h5-9,25H,3-4,10H2,1-2H3,(H,23,26)
InChIKeyCZMWKPZKZBIGLM-UHFFFAOYSA-N
XLogP4.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.73
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 112820912
2,3,5-trichloro-6-hydroxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 112824262
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 112842813
N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
CID 86983565
2,3,5-trichloro-N-[[2-(ethoxymethyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821238
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
2,3,5-trichloro-6-hydroxy-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122149844
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
CID 87025092
4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
CID 87025093

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide?
The IUPAC name of 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide (CID 112821498) is 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide.
What is the SMILES notation for 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide?
The canonical SMILES for 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide is CCN(CC)C(=O)c1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide?
The InChIKey is CZMWKPZKZBIGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O3/c1-3-24(4-2)19(27)12-7-5-11(6-8-12)10-23-18(26)15-16(22)13(20)9-14(21)17(15)25/h5-9,25H,3-4,10H2,1-2H3,(H,23,26).
What are the key properties of 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide?
2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide has a molecular weight of 429.73 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide is sourced from PubChem (CID 112821498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).