(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide

C19H21Br2NO2 — CID 40736855

IUPAC(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br
InChIInChI=1S/C19H21Br2NO2/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+/m0/s1
InChIKeyNLBZKBWDNWJRSE-QWHCGFSZSA-N
MW455.19 g/mol
LogP6.13
Rot. Bonds6

About (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide

(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide (PubChem CID 40736855) has the molecular formula C19H21Br2NO2 and a molecular weight of 455.19 g/mol. Its IUPAC name is (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
PubChem CID40736855
Molecular FormulaC19H21Br2NO2
Molecular Weight455.19 g/mol
Exact Mass452.99
IUPAC Name(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br
InChIInChI=1S/C19H21Br2NO2/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+/m0/s1
InChIKeyNLBZKBWDNWJRSE-QWHCGFSZSA-N
XLogP6.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.19
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55418069
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(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)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825807
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2-nitrophenoxy)propanamide
CID 8569316
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide?
The IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide (CID 40736855) is (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide is CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br.
What is the InChIKey of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide?
The InChIKey is NLBZKBWDNWJRSE-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H21Br2NO2/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+/m0/s1.
What are the key properties of (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide?
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide has a molecular weight of 455.19 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide is sourced from PubChem (CID 40736855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).