N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide

C19H22ClNO3 — CID 17087061

IUPACN-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-4-13-23-18-8-6-5-7-17(18)21-19(22)14(2)24-16-11-9-15(20)10-12-16/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyCEQLCCRNVVWEKL-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.92
Rot. Bonds8

About N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide

N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide (PubChem CID 17087061) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
PubChem CID17087061
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-4-13-23-18-8-6-5-7-17(18)21-19(22)14(2)24-16-11-9-15(20)10-12-16/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyCEQLCCRNVVWEKL-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
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-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
2-(2,4-dichlorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 42997775
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
CID 17131474
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
1,3-bis(2-butoxyphenyl)urea
CID 17170447
2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
CID 43000685
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 41386334
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8866266
N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
CID 46437000

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide (CID 17087061) is N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide is CCCCOc1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
The InChIKey is CEQLCCRNVVWEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-4-13-23-18-8-6-5-7-17(18)21-19(22)14(2)24-16-11-9-15(20)10-12-16/h5-12,14H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 17087061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).