(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide

C19H21BrClNO2 — CID 7809679

IUPAC(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C19H21BrClNO2/c1-4-12(2)15-7-5-6-8-17(15)22-19(23)13(3)24-18-10-9-14(20)11-16(18)21/h5-13H,4H2,1-3H3,(H,22,23)/t12-,13+/m1/s1
InChIKeyLFJFJTXRRPMCOX-OLZOCXBDSA-N
MW410.74 g/mol
LogP6.02
Rot. Bonds6

About (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide

(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide (PubChem CID 7809679) has the molecular formula C19H21BrClNO2 and a molecular weight of 410.74 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
PubChem CID7809679
Molecular FormulaC19H21BrClNO2
Molecular Weight410.74 g/mol
Exact Mass409.04
IUPAC Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C19H21BrClNO2/c1-4-12(2)15-7-5-6-8-17(15)22-19(23)13(3)24-18-10-9-14(20)11-16(18)21/h5-13H,4H2,1-3H3,(H,22,23)/t12-,13+/m1/s1
InChIKeyLFJFJTXRRPMCOX-OLZOCXBDSA-N
XLogP6.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550717
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550714
(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
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731
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-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825807
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide?
The IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide (CID 7809679) is (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl.
What is the InChIKey of (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide?
The InChIKey is LFJFJTXRRPMCOX-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H21BrClNO2/c1-4-12(2)15-7-5-6-8-17(15)22-19(23)13(3)24-18-10-9-14(20)11-16(18)21/h5-13H,4H2,1-3H3,(H,22,23)/t12-,13+/m1/s1.
What are the key properties of (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide?
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide has a molecular weight of 410.74 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide is sourced from PubChem (CID 7809679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).