4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide

C21H25ClN2O3 — CID 47071541

IUPAC4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
SMILESCC(=O)NCCc1ccc(C(=O)NCCCOc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-15-14-19(22)8-9-20(15)27-13-3-11-24-21(26)18-6-4-17(5-7-18)10-12-23-16(2)25/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBBFWFERPICSSGP-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.53
Rot. Bonds9

About 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide

4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide (PubChem CID 47071541) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
PubChem CID47071541
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
SMILESCC(=O)NCCc1ccc(C(=O)NCCCOc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C21H25ClN2O3/c1-15-14-19(22)8-9-20(15)27-13-3-11-24-21(26)18-6-4-17(5-7-18)10-12-23-16(2)25/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBBFWFERPICSSGP-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide
CID 86863926
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 112976514
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 112976538
3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
CID 60578580
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide?
The IUPAC name of 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide (CID 47071541) is 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide?
The canonical SMILES for 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide is CC(=O)NCCc1ccc(C(=O)NCCCOc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide?
The InChIKey is BBFWFERPICSSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-15-14-19(22)8-9-20(15)27-13-3-11-24-21(26)18-6-4-17(5-7-18)10-12-23-16(2)25/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide?
4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide has a molecular weight of 388.90 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 47071541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).