(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide

C20H24ClNO2 — CID 99133228

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24ClNO2/c1-5-19(24-17-10-11-18(21)14(4)12-17)20(23)22-16-8-6-15(7-9-16)13(2)3/h6-13,19H,5H2,1-4H3,(H,22,23)/t19-/m1/s1
InChIKeyJTJDVSVPVJCHGD-LJQANCHMSA-N
MW345.87 g/mol
LogP5.57
Rot. Bonds6

About (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 99133228) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
PubChem CID99133228
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24ClNO2/c1-5-19(24-17-10-11-18(21)14(4)12-17)20(23)22-16-8-6-15(7-9-16)13(2)3/h6-13,19H,5H2,1-4H3,(H,22,23)/t19-/m1/s1
InChIKeyJTJDVSVPVJCHGD-LJQANCHMSA-N
XLogP5.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
CID 17217156
2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
CID 132652405
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
(2R)-2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99133336
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide (CID 99133228) is (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide is CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is JTJDVSVPVJCHGD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-19(24-17-10-11-18(21)14(4)12-17)20(23)22-16-8-6-15(7-9-16)13(2)3/h6-13,19H,5H2,1-4H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 345.87 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 99133228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).