N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide

C19H22ClNO3 — CID 31676938

IUPACN-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c20-16-8-10-17(11-9-16)24-14-4-3-13-21-19(23)12-7-15-5-1-2-6-18(15)22/h1-2,5-6,8-11,22H,3-4,7,12-14H2,(H,21,23)
InChIKeyBAXFSAXCFOAYIX-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.95
Rot. Bonds9

About N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide

N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 31676938) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide
PubChem CID31676938
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c20-16-8-10-17(11-9-16)24-14-4-3-13-21-19(23)12-7-15-5-1-2-6-18(15)22/h1-2,5-6,8-11,22H,3-4,7,12-14H2,(H,21,23)
InChIKeyBAXFSAXCFOAYIX-UHFFFAOYSA-N
XLogP3.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.95
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-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
CID 43423411
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
4-(4-chlorophenoxy)-N-(2-phenylethyl)butan-1-amine;oxalic acid
CID 2935831

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide (CID 31676938) is N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)NCCCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is BAXFSAXCFOAYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c20-16-8-10-17(11-9-16)24-14-4-3-13-21-19(23)12-7-15-5-1-2-6-18(15)22/h1-2,5-6,8-11,22H,3-4,7,12-14H2,(H,21,23).
What are the key properties of N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide?
N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 347.84 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 31676938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).