(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

C21H26ClNO2 — CID 28573896

IUPAC(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26ClNO2/c1-4-20(25-19-7-5-6-18(22)14-19)21(24)23-13-12-16-8-10-17(11-9-16)15(2)3/h5-11,14-15,20H,4,12-13H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyPKTLZQONWDZGLZ-HXUWFJFHSA-N
MW359.90 g/mol
LogP4.98
Rot. Bonds8

About (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (PubChem CID 28573896) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
PubChem CID28573896
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26ClNO2/c1-4-20(25-19-7-5-6-18(22)14-19)21(24)23-13-12-16-8-10-17(11-9-16)15(2)3/h5-11,14-15,20H,4,12-13H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyPKTLZQONWDZGLZ-HXUWFJFHSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975
2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 46763081
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
(2R)-2-naphthalen-1-yloxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94027047
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (CID 28573896) is (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The InChIKey is PKTLZQONWDZGLZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-4-20(25-19-7-5-6-18(22)14-19)21(24)23-13-12-16-8-10-17(11-9-16)15(2)3/h5-11,14-15,20H,4,12-13H2,1-3H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide has a molecular weight of 359.90 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 28573896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).