N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide

C21H25ClN2O3 — CID 21367326

IUPACN-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-2-3-14-23-21(26)18-7-4-5-8-19(18)24-20(25)9-6-15-27-17-12-10-16(22)11-13-17/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyNGHNDBXNKNEKJK-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.67
Rot. Bonds10

About N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide

N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide (PubChem CID 21367326) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
PubChem CID21367326
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-2-3-14-23-21(26)18-7-4-5-8-19(18)24-20(25)9-6-15-27-17-12-10-16(22)11-13-17/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyNGHNDBXNKNEKJK-UHFFFAOYSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.67
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

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-[(4-butoxybenzoyl)carbamothioylamino]-N-butylbenzamide
CID 17149493
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
4-(4-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 46778135
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
CID 21173388
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide?
The IUPAC name of N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide (CID 21367326) is N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide?
The canonical SMILES for N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide?
The InChIKey is NGHNDBXNKNEKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-2-3-14-23-21(26)18-7-4-5-8-19(18)24-20(25)9-6-15-27-17-12-10-16(22)11-13-17/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide?
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide has a molecular weight of 388.90 g/mol, XLogP of 4.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide is sourced from PubChem (CID 21367326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).