2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

C16H15Cl3N2O3 — CID 112842813

IUPAC2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cn1
InChIInChI=1S/C16H15Cl3N2O3/c1-8(2)24-12-4-3-9(6-20-12)7-21-16(23)13-14(19)10(17)5-11(18)15(13)22/h3-6,8,22H,7H2,1-2H3,(H,21,23)
InChIKeyMRSGCQHGCQDHHM-UHFFFAOYSA-N
MW389.67 g/mol
LogP4.46
Rot. Bonds5

About 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (PubChem CID 112842813) has the molecular formula C16H15Cl3N2O3 and a molecular weight of 389.67 g/mol. Its IUPAC name is 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
PubChem CID112842813
Molecular FormulaC16H15Cl3N2O3
Molecular Weight389.67 g/mol
Exact Mass388.01
IUPAC Name2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cn1
InChIInChI=1S/C16H15Cl3N2O3/c1-8(2)24-12-4-3-9(6-20-12)7-21-16(23)13-14(19)10(17)5-11(18)15(13)22/h3-6,8,22H,7H2,1-2H3,(H,21,23)
InChIKeyMRSGCQHGCQDHHM-UHFFFAOYSA-N
XLogP4.46
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.67
LogP ≤ 54.46
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

2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 112820912
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55808925
2,3,5-trichloro-6-hydroxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 112824262
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821498
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55747469
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 78881949
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111131445
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091815

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (CID 112842813) is 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is CC(C)Oc1ccc(CNC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cn1.
What is the InChIKey of 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is MRSGCQHGCQDHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O3/c1-8(2)24-12-4-3-9(6-20-12)7-21-16(23)13-14(19)10(17)5-11(18)15(13)22/h3-6,8,22H,7H2,1-2H3,(H,21,23).
What are the key properties of 2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 389.67 g/mol, XLogP of 4.46, 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-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 112842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).