(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide

C19H22ClNO2 — CID 94016511

IUPAC(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-17(23-18-13-7-6-12-16(18)20)19(22)21-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13,17H,2,8,11,14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyCRQNCZJALJBJBB-QGZVFWFLSA-N
MW331.84 g/mol
LogP4.25
Rot. Bonds8

About (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide

(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide (PubChem CID 94016511) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
PubChem CID94016511
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-17(23-18-13-7-6-12-16(18)20)19(22)21-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13,17H,2,8,11,14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyCRQNCZJALJBJBB-QGZVFWFLSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide (CID 94016511) is (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
The InChIKey is CRQNCZJALJBJBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-2-17(23-18-13-7-6-12-16(18)20)19(22)21-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13,17H,2,8,11,14H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide has a molecular weight of 331.84 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 94016511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).