N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide

C19H14ClNO5 — CID 28670975

IUPACN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14ClNO5/c20-14-4-1-11(16-6-3-13(9-22)26-16)7-15(14)21-19(23)12-2-5-17-18(8-12)25-10-24-17/h1-8,22H,9-10H2,(H,21,23)
InChIKeyRBXMEUVYVVCUKU-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.07
Rot. Bonds4

About N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 28670975) has the molecular formula C19H14ClNO5 and a molecular weight of 371.78 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID28670975
Molecular FormulaC19H14ClNO5
Molecular Weight371.78 g/mol
Exact Mass371.06
IUPAC NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14ClNO5/c20-14-4-1-11(16-6-3-13(9-22)26-16)7-15(14)21-19(23)12-2-5-17-18(8-12)25-10-24-17/h1-8,22H,9-10H2,(H,21,23)
InChIKeyRBXMEUVYVVCUKU-UHFFFAOYSA-N
XLogP4.07
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671045
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671053
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
CID 28667544
N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 28687668
3,4-dichloro-N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide
CID 28687341
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-propoxybenzamide
CID 28672597
2,4-dichloro-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28668130
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
CID 28672123
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 28670990

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide (CID 28670975) is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is RBXMEUVYVVCUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5/c20-14-4-1-11(16-6-3-13(9-22)26-16)7-15(14)21-19(23)12-2-5-17-18(8-12)25-10-24-17/h1-8,22H,9-10H2,(H,21,23).
What are the key properties of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 371.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 28670975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).