(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate

C20H22ClNO4 — CID 26197497

IUPAC(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCCCOc1ccc(OC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO4/c1-2-14-25-17-9-11-18(12-10-17)26-19(23)4-3-13-22-20(24)15-5-7-16(21)8-6-15/h5-12H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyGEBODXKHCQNVFD-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.24
Rot. Bonds9

About (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate

(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate (PubChem CID 26197497) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate.

Molecular Properties

Compound Name(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
PubChem CID26197497
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCCCOc1ccc(OC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO4/c1-2-14-25-17-9-11-18(12-10-17)26-19(23)4-3-13-22-20(24)15-5-7-16(21)8-6-15/h5-12H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyGEBODXKHCQNVFD-UHFFFAOYSA-N
XLogP4.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
(4-propylphenyl) 4-(4-chlorophenoxy)butanoate
CID 19184295
(4-chlorophenyl) pentanoate
CID 532709
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
(2,6-dimethylphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
CID 2493229
(2-chloro-5-methylphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
CID 18279335
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
N-[4-(4-chlorophenoxy)butyl]-3,4,5-triethoxybenzamide
CID 16571870

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate?
The IUPAC name of (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate (CID 26197497) is (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate.
What is the SMILES notation for (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate?
The canonical SMILES for (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate is CCCOc1ccc(OC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate?
The InChIKey is GEBODXKHCQNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-2-14-25-17-9-11-18(12-10-17)26-19(23)4-3-13-22-20(24)15-5-7-16(21)8-6-15/h5-12H,2-4,13-14H2,1H3,(H,22,24).
What are the key properties of (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate?
(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate has a molecular weight of 375.85 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate is sourced from PubChem (CID 26197497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).