(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide

C15H20BrN3O — CID 39747498

IUPAC(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Nc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c1-10(2)15(4,9-17)19-14(20)11(3)18-13-7-5-12(16)6-8-13/h5-8,10-11,18H,1-4H3,(H,19,20)/t11-,15-/m1/s1
InChIKeyGUWPGMPPPYJKKL-IAQYHMDHSA-N
MW338.25 g/mol
LogP3.30
Rot. Bonds5

About (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide

(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide (PubChem CID 39747498) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
PubChem CID39747498
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Nc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c1-10(2)15(4,9-17)19-14(20)11(3)18-13-7-5-12(16)6-8-13/h5-8,10-11,18H,1-4H3,(H,19,20)/t11-,15-/m1/s1
InChIKeyGUWPGMPPPYJKKL-IAQYHMDHSA-N
XLogP3.30
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2669494
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dimethoxyanilino)propanamide
CID 35957798
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
CID 18700272
2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
CID 80973497
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 12945446
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7743048
[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949905
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
CID 94183956
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide (CID 39747498) is (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide is CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
The InChIKey is GUWPGMPPPYJKKL-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10(2)15(4,9-17)19-14(20)11(3)18-13-7-5-12(16)6-8-13/h5-8,10-11,18H,1-4H3,(H,19,20)/t11-,15-/m1/s1.
What are the key properties of (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide has a molecular weight of 338.25 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 39747498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).