(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide

C20H24ClNO2 — CID 7542731

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C20H24ClNO2/c1-5-13(2)17-8-6-7-9-19(17)22-20(23)15(4)24-16-10-11-18(21)14(3)12-16/h6-13,15H,5H2,1-4H3,(H,22,23)/t13-,15-/m1/s1
InChIKeyFKBURBQGXJVEAW-UKRRQHHQSA-N
MW345.87 g/mol
LogP5.57
Rot. Bonds6

About (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide (PubChem CID 7542731) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
PubChem CID7542731
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C20H24ClNO2/c1-5-13(2)17-8-6-7-9-19(17)22-20(23)15(4)24-16-10-11-18(21)14(3)12-16/h6-13,15H,5H2,1-4H3,(H,22,23)/t13-,15-/m1/s1
InChIKeyFKBURBQGXJVEAW-UKRRQHHQSA-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

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Related Compounds

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
methyl 4-[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]oxybenzoate
CID 7679093
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7794737
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
CID 7505965
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 7809679
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550714
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550717
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2,5-dichlorobenzoate
CID 7723232

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide (CID 7542731) is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide?
The InChIKey is FKBURBQGXJVEAW-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-13(2)17-8-6-7-9-19(17)22-20(23)15(4)24-16-10-11-18(21)14(3)12-16/h6-13,15H,5H2,1-4H3,(H,22,23)/t13-,15-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide?
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide 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)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide is sourced from PubChem (CID 7542731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).