(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide

C22H18BrN3O2 — CID 40792700

IUPAC(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide
SMILESC[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C22H18BrN3O2/c1-15(22(27)26-21-5-3-2-4-16(21)14-24)25-18-8-12-20(13-9-18)28-19-10-6-17(23)7-11-19/h2-13,15,25H,1H3,(H,26,27)/t15-/m1/s1
InChIKeyWWYDROZIJODPRT-OAHLLOKOSA-N
MW436.31 g/mol
LogP5.55
Rot. Bonds6

About (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide

(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide (PubChem CID 40792700) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide
PubChem CID40792700
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide
SMILESC[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C22H18BrN3O2/c1-15(22(27)26-21-5-3-2-4-16(21)14-24)25-18-8-12-20(13-9-18)28-19-10-6-17(23)7-11-19/h2-13,15,25H,1H3,(H,26,27)/t15-/m1/s1
InChIKeyWWYDROZIJODPRT-OAHLLOKOSA-N
XLogP5.55
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
CID 47486358
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
[2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754844
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 47486344
2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 60583084
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide (CID 40792700) is (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide is C[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide?
The InChIKey is WWYDROZIJODPRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-15(22(27)26-21-5-3-2-4-16(21)14-24)25-18-8-12-20(13-9-18)28-19-10-6-17(23)7-11-19/h2-13,15,25H,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide?
(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide has a molecular weight of 436.31 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 40792700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).