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

C25H26ClNO2 — CID 7550714

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C25H26ClNO2/c1-4-17(2)21-12-8-9-13-23(21)27-25(28)18(3)29-24-15-14-20(16-22(24)26)19-10-6-5-7-11-19/h5-18H,4H2,1-3H3,(H,27,28)/t17-,18-/m1/s1
InChIKeySGSCFTRNOIRDEZ-QZTJIDSGSA-N
MW407.94 g/mol
LogP6.93
Rot. Bonds7

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

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide (PubChem CID 7550714) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
PubChem CID7550714
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C25H26ClNO2/c1-4-17(2)21-12-8-9-13-23(21)27-25(28)18(3)29-24-15-14-20(16-22(24)26)19-10-6-5-7-11-19/h5-18H,4H2,1-3H3,(H,27,28)/t17-,18-/m1/s1
InChIKeySGSCFTRNOIRDEZ-QZTJIDSGSA-N
XLogP6.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550717
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 7809679
(2R)-2-(2-bromo-4-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 7547628
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
(2S)-2-(2-chloro-4-phenylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7653031
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2-nitrophenoxy)propanamide
CID 8569316
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
CID 7670740

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide (CID 7550714) is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide?
The InChIKey is SGSCFTRNOIRDEZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C25H26ClNO2/c1-4-17(2)21-12-8-9-13-23(21)27-25(28)18(3)29-24-15-14-20(16-22(24)26)19-10-6-5-7-11-19/h5-18H,4H2,1-3H3,(H,27,28)/t17-,18-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide?
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide has a molecular weight of 407.94 g/mol, XLogP of 6.93, 7 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-(2-chloro-4-phenylphenoxy)propanamide is sourced from PubChem (CID 7550714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).