(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide

C19H22ClNO2 — CID 94015863

IUPAC(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H22ClNO2/c1-5-18(23-16-9-7-12(2)14(4)10-16)19(22)21-15-8-6-13(3)17(20)11-15/h6-11,18H,5H2,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyNVZKBQDDQBORPL-GOSISDBHSA-N
MW331.84 g/mol
LogP5.06
Rot. Bonds5

About (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide

(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 94015863) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
PubChem CID94015863
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H22ClNO2/c1-5-18(23-16-9-7-12(2)14(4)10-16)19(22)21-15-8-6-13(3)17(20)11-15/h6-11,18H,5H2,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyNVZKBQDDQBORPL-GOSISDBHSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364
(2S)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 28577445
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide (CID 94015863) is (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is NVZKBQDDQBORPL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-5-18(23-16-9-7-12(2)14(4)10-16)19(22)21-15-8-6-13(3)17(20)11-15/h6-11,18H,5H2,1-4H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 331.84 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 94015863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).