2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C14H12Cl3NO3 — CID 112820841

IUPAC2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)o1
InChIInChI=1S/C14H12Cl3NO3/c1-7-3-4-8(21-7)6-18(2)14(20)11-12(17)9(15)5-10(16)13(11)19/h3-5,19H,6H2,1-2H3
InChIKeyLEJFVYOIMWGPED-UHFFFAOYSA-N
MW348.61 g/mol
LogP4.53
Rot. Bonds3

About 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 112820841) has the molecular formula C14H12Cl3NO3 and a molecular weight of 348.61 g/mol. Its IUPAC name is 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID112820841
Molecular FormulaC14H12Cl3NO3
Molecular Weight348.61 g/mol
Exact Mass346.99
IUPAC Name2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)o1
InChIInChI=1S/C14H12Cl3NO3/c1-7-3-4-8(21-7)6-18(2)14(20)11-12(17)9(15)5-10(16)13(11)19/h3-5,19H,6H2,1-2H3
InChIKeyLEJFVYOIMWGPED-UHFFFAOYSA-N
XLogP4.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
CID 119958197
3-(2-chlorophenyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 29221000
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24542566
N-(1,3-benzothiazol-2-ylmethyl)-2,3,5-trichloro-6-hydroxy-N-methylbenzamide
CID 112820955
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 31150856
4,5-dibromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 2494689
3-(tert-butylsulfamoyl)-4-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 34756009
5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014792

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 112820841) is 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)o1.
What is the InChIKey of 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is LEJFVYOIMWGPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO3/c1-7-3-4-8(21-7)6-18(2)14(20)11-12(17)9(15)5-10(16)13(11)19/h3-5,19H,6H2,1-2H3.
What are the key properties of 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 348.61 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 112820841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).