N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide

C12H10ClNO3 — CID 71861123

IUPACN-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(CO)o1
InChIInChI=1S/C12H10ClNO3/c13-8-1-3-9(4-2-8)14-12(16)11-6-5-10(7-15)17-11/h1-6,15H,7H2,(H,14,16)
InChIKeyPIIQNWDAAVVZGP-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.68
Rot. Bonds3

About N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide

N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide (PubChem CID 71861123) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
PubChem CID71861123
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC NameN-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(CO)o1
InChIInChI=1S/C12H10ClNO3/c13-8-1-3-9(4-2-8)14-12(16)11-6-5-10(7-15)17-11/h1-6,15H,7H2,(H,14,16)
InChIKeyPIIQNWDAAVVZGP-UHFFFAOYSA-N
XLogP2.68
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 2804180
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,5-dichlorophenyl)furan-2-carboxamide
CID 28670148
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 99938366
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28667689
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide (CID 71861123) is N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(CO)o1.
What is the InChIKey of N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide?
The InChIKey is PIIQNWDAAVVZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-8-1-3-9(4-2-8)14-12(16)11-6-5-10(7-15)17-11/h1-6,15H,7H2,(H,14,16).
What are the key properties of N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide?
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide is sourced from PubChem (CID 71861123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).