(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide

C26H22ClNO3 — CID 92685827

IUPAC(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C26H22ClNO3/c1-2-24(31-22-14-12-18-8-6-7-9-19(18)16-22)26(29)28-23-17-20(27)13-15-25(23)30-21-10-4-3-5-11-21/h3-17,24H,2H2,1H3,(H,28,29)/t24-/m1/s1
InChIKeyIVHJEULMHYJXQN-XMMPIXPASA-N
MW431.92 g/mol
LogP7.08
Rot. Bonds7

About (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide

(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 92685827) has the molecular formula C26H22ClNO3 and a molecular weight of 431.92 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID92685827
Molecular FormulaC26H22ClNO3
Molecular Weight431.92 g/mol
Exact Mass431.13
IUPAC Name(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C26H22ClNO3/c1-2-24(31-22-14-12-18-8-6-7-9-19(18)16-22)26(29)28-23-17-20(27)13-15-25(23)30-21-10-4-3-5-11-21/h3-17,24H,2H2,1H3,(H,28,29)/t24-/m1/s1
InChIKeyIVHJEULMHYJXQN-XMMPIXPASA-N
XLogP7.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173306
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
3-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241367
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide (CID 92685827) is (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is IVHJEULMHYJXQN-XMMPIXPASA-N. The full InChI is InChI=1S/C26H22ClNO3/c1-2-24(31-22-14-12-18-8-6-7-9-19(18)16-22)26(29)28-23-17-20(27)13-15-25(23)30-21-10-4-3-5-11-21/h3-17,24H,2H2,1H3,(H,28,29)/t24-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide?
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 431.92 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 92685827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).