5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide

C15H16ClNO5 — CID 86925580

IUPAC5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)o2)c(OC)c1OC
InChIInChI=1S/C15H16ClNO5/c1-19-10-5-4-9(13(20-2)14(10)21-3)8-17-15(18)11-6-7-12(16)22-11/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyHFEHPJNCRYDSNL-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.89
Rot. Bonds6

About 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide

5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 86925580) has the molecular formula C15H16ClNO5 and a molecular weight of 325.75 g/mol. Its IUPAC name is 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID86925580
Molecular FormulaC15H16ClNO5
Molecular Weight325.75 g/mol
Exact Mass325.07
IUPAC Name5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)o2)c(OC)c1OC
InChIInChI=1S/C15H16ClNO5/c1-19-10-5-4-9(13(20-2)14(10)21-3)8-17-15(18)11-6-7-12(16)22-11/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyHFEHPJNCRYDSNL-UHFFFAOYSA-N
XLogP2.89
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61021663
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86925548
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8533572
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 86925550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 86925580) is 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Cl)o2)c(OC)c1OC.
What is the InChIKey of 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is HFEHPJNCRYDSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5/c1-19-10-5-4-9(13(20-2)14(10)21-3)8-17-15(18)11-6-7-12(16)22-11/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide?
5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 325.75 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 86925580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).