4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide

C24H23ClN2O4 — CID 56549046

IUPAC4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H23ClN2O4/c1-27(14-3-15-30-22-5-2-4-19(25)16-22)24(29)18-8-12-21(13-9-18)31-20-10-6-17(7-11-20)23(26)28/h2,4-13,16H,3,14-15H2,1H3,(H2,26,28)
InChIKeyRHIADTZCNUINML-UHFFFAOYSA-N
MW438.91 g/mol
LogP4.77
Rot. Bonds9

About 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide

4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide (PubChem CID 56549046) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
PubChem CID56549046
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H23ClN2O4/c1-27(14-3-15-30-22-5-2-4-19(25)16-22)24(29)18-8-12-21(13-9-18)31-20-10-6-17(7-11-20)23(26)28/h2,4-13,16H,3,14-15H2,1H3,(H2,26,28)
InChIKeyRHIADTZCNUINML-UHFFFAOYSA-N
XLogP4.77
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 54.77
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-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
CID 71853795
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
N-[3-(3-chlorophenoxy)propyl]-N,4-dimethyl-3-nitrobenzamide
CID 55898199
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33321730
N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55919012
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739
4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide (CID 56549046) is 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide is CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide?
The InChIKey is RHIADTZCNUINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-27(14-3-15-30-22-5-2-4-19(25)16-22)24(29)18-8-12-21(13-9-18)31-20-10-6-17(7-11-20)23(26)28/h2,4-13,16H,3,14-15H2,1H3,(H2,26,28).
What are the key properties of 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide?
4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide has a molecular weight of 438.91 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56549046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).