4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide

C19H21ClN2O3 — CID 26903822

IUPAC4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCOc1ccccc1
InChIInChI=1S/C19H21ClN2O3/c20-16-10-8-15(9-11-16)19(24)22-12-4-7-18(23)21-13-14-25-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,23)(H,22,24)
InChIKeyCVDUITBYXNZNAN-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.05
Rot. Bonds9

About 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide

4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide (PubChem CID 26903822) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
PubChem CID26903822
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCOc1ccccc1
InChIInChI=1S/C19H21ClN2O3/c20-16-10-8-15(9-11-16)19(24)22-12-4-7-18(23)21-13-14-25-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,23)(H,22,24)
InChIKeyCVDUITBYXNZNAN-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.05
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-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
N'-(2-phenoxyethyl)-N-[3-[[4-(2H-triazol-4-yl)benzoyl]amino]propyl]dodecanediamide
CID 162289382
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
ethyl [4-[3-(4-phenoxybutanoylamino)propylcarbamoyl]phenyl] carbonate
CID 108932315

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide (CID 26903822) is 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCOc1ccccc1.
What is the InChIKey of 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide?
The InChIKey is CVDUITBYXNZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-16-10-8-15(9-11-16)19(24)22-12-4-7-18(23)21-13-14-25-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide?
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide is sourced from PubChem (CID 26903822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).