N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide

C22H21ClN2O4 — CID 55919012

IUPACN-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H21ClN2O4/c1-25(11-5-13-28-19-9-3-7-17(23)15-19)22(27)16-6-2-8-18(14-16)24-21(26)20-10-4-12-29-20/h2-4,6-10,12,14-15H,5,11,13H2,1H3,(H,24,26)
InChIKeyZOKTVHPBEBQZBM-UHFFFAOYSA-N
MW412.87 g/mol
LogP4.73
Rot. Bonds8

About N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55919012) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55919012
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC NameN-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H21ClN2O4/c1-25(11-5-13-28-19-9-3-7-17(23)15-19)22(27)16-6-2-8-18(14-16)24-21(26)20-10-4-12-29-20/h2-4,6-10,12,14-15H,5,11,13H2,1H3,(H,24,26)
InChIKeyZOKTVHPBEBQZBM-UHFFFAOYSA-N
XLogP4.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
CID 56549046
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55822667
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55919012) is N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide is CN(CCCOc1cccc(Cl)c1)C(=O)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZOKTVHPBEBQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-25(11-5-13-28-19-9-3-7-17(23)15-19)22(27)16-6-2-8-18(14-16)24-21(26)20-10-4-12-29-20/h2-4,6-10,12,14-15H,5,11,13H2,1H3,(H,24,26).
What are the key properties of N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 412.87 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55919012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).