N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide

C17H18BrNO — CID 172560756

IUPACN-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-17(2,3)16(20)19(14-9-5-4-6-10-14)15-11-7-8-13(18)12-15/h4-12H,1-3H3
InChIKeyGIWNTUULKDRVKB-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.16
Rot. Bonds2

About N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide

N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide (PubChem CID 172560756) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide
PubChem CID172560756
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-17(2,3)16(20)19(14-9-5-4-6-10-14)15-11-7-8-13(18)12-15/h4-12H,1-3H3
InChIKeyGIWNTUULKDRVKB-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
3-(3-bromo-N-methylanilino)-3-methylbutanoic acid
CID 117042384
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
N-(3-bromophenyl)-N-hydroxyacetamide
CID 3015973
3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
CID 71672026
4-(3-bromo-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165263
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
(2E)-2-[(3-bromophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 67317624
(2R,3S)-3-(3-bromophenyl)-N,N-diphenyloxirane-2-carboxamide
CID 135054503
3-bromo-N-iodo-N-phenylaniline
CID 143818011
3-bromobenzoic acid;ethane
CID 143530590

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide (CID 172560756) is N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide is CC(C)(C)C(=O)N(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is GIWNTUULKDRVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-17(2,3)16(20)19(14-9-5-4-6-10-14)15-11-7-8-13(18)12-15/h4-12H,1-3H3.
What are the key properties of N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide?
N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 332.24 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 172560756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).