N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide

C20H18ClNO4 — CID 28672123

IUPACN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1
InChIInChI=1S/C20H18ClNO4/c1-2-25-15-5-3-4-14(10-15)20(24)22-18-11-13(6-8-17(18)21)19-9-7-16(12-23)26-19/h3-11,23H,2,12H2,1H3,(H,22,24)
InChIKeyXPKFYRAPDYSRNW-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.74
Rot. Bonds6

About N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide (PubChem CID 28672123) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
PubChem CID28672123
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1
InChIInChI=1S/C20H18ClNO4/c1-2-25-15-5-3-4-14(10-15)20(24)22-18-11-13(6-8-17(18)21)19-9-7-16(12-23)26-19/h3-11,23H,2,12H2,1H3,(H,22,24)
InChIKeyXPKFYRAPDYSRNW-UHFFFAOYSA-N
XLogP4.74
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
CID 28667544
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-propoxybenzamide
CID 28672597
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 28670975
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688537
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 28677528
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide (CID 28672123) is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide?
The InChIKey is XPKFYRAPDYSRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-2-25-15-5-3-4-14(10-15)20(24)22-18-11-13(6-8-17(18)21)19-9-7-16(12-23)26-19/h3-11,23H,2,12H2,1H3,(H,22,24).
What are the key properties of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide?
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide has a molecular weight of 371.82 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 28672123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).