(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide

C19H22ClNO2 — CID 94027219

IUPAC(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-17(23-18-8-6-5-7-16(18)20)19(22)21-15-11-9-14(10-12-15)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyDQMCAVUQELLDOJ-QGZVFWFLSA-N
MW331.84 g/mol
LogP5.26
Rot. Bonds6

About (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide

(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 94027219) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
PubChem CID94027219
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-17(23-18-8-6-5-7-16(18)20)19(22)21-15-11-9-14(10-12-15)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyDQMCAVUQELLDOJ-QGZVFWFLSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
CID 92646271
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131495
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090
(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950957

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide (CID 94027219) is (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide is CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is DQMCAVUQELLDOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-17(23-18-8-6-5-7-16(18)20)19(22)21-15-11-9-14(10-12-15)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide?
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 331.84 g/mol, XLogP of 5.26, 6 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-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 94027219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).