N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide

C19H22ClNO2 — CID 2933438

IUPACN-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-3-4-6-15-9-11-17(12-10-15)21-19(22)14(2)23-18-8-5-7-16(20)13-18/h5,7-14H,3-4,6H2,1-2H3,(H,21,22)
InChIKeyJBDRJGYZNGQYPI-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.09
Rot. Bonds7

About N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide

N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 2933438) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID2933438
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-3-4-6-15-9-11-17(12-10-15)21-19(22)14(2)23-18-8-5-7-16(20)13-18/h5,7-14H,3-4,6H2,1-2H3,(H,21,22)
InChIKeyJBDRJGYZNGQYPI-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
CID 53266042
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide (CID 2933438) is N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide is CCCCc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is JBDRJGYZNGQYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-3-4-6-15-9-11-17(12-10-15)21-19(22)14(2)23-18-8-5-7-16(20)13-18/h5,7-14H,3-4,6H2,1-2H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide?
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 331.84 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 2933438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).