2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide

C15H19BrN2O — CID 110619409

IUPAC2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)(C)C#N)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-10(2)13(11-5-7-12(16)8-6-11)14(19)18-15(3,4)9-17/h5-8,10,13H,1-4H3,(H,18,19)
InChIKeyIVROISXNHFTEJE-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide

2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide (PubChem CID 110619409) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide
PubChem CID110619409
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)(C)C#N)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-10(2)13(11-5-7-12(16)8-6-11)14(19)18-15(3,4)9-17/h5-8,10,13H,1-4H3,(H,18,19)
InChIKeyIVROISXNHFTEJE-UHFFFAOYSA-N
XLogP3.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-3-methylbutanoyl chloride
CID 23465342
N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110356855
2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110316878
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 61261712
(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
CID 39747498
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2669494
(3R)-3-(4-bromophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 124511496
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
CID 110615043
N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110313069

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide (CID 110619409) is 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide is CC(C)C(C(=O)NC(C)(C)C#N)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide?
The InChIKey is IVROISXNHFTEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10(2)13(11-5-7-12(16)8-6-11)14(19)18-15(3,4)9-17/h5-8,10,13H,1-4H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide?
2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide has a molecular weight of 323.23 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 110619409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).