N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide

C21H20ClNO4 — CID 28672414

IUPACN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1
InChIInChI=1S/C21H20ClNO4/c1-13(2)26-16-5-3-4-14(10-16)21(25)23-15-6-8-19(22)18(11-15)20-9-7-17(12-24)27-20/h3-11,13,24H,12H2,1-2H3,(H,23,25)
InChIKeyRYICERRWTXHFFO-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.13
Rot. Bonds6

About N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide (PubChem CID 28672414) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
PubChem CID28672414
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1
InChIInChI=1S/C21H20ClNO4/c1-13(2)26-16-5-3-4-14(10-16)21(25)23-15-6-8-19(22)18(11-15)20-9-7-17(12-24)27-20/h3-11,13,24H,12H2,1-2H3,(H,23,25)
InChIKeyRYICERRWTXHFFO-UHFFFAOYSA-N
XLogP5.13
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
CID 28671192
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666023
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
CID 28667348
N-[[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 28688010
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
CID 28669155
3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide
CID 28672317
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-phenylmethoxybenzamide
CID 28677525
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
CID 28672123

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide (CID 28672414) is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1.
What is the InChIKey of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is RYICERRWTXHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-13(2)26-16-5-3-4-14(10-16)21(25)23-15-6-8-19(22)18(11-15)20-9-7-17(12-24)27-20/h3-11,13,24H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide?
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 385.85 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 28672414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).