N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide

C19H21BrN2O2 — CID 108962356

IUPACN-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1ccccc1Br
InChIInChI=1S/C19H21BrN2O2/c1-19(2,17(23)21-16-12-8-7-11-15(16)20)18(24)22(3)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,23)
InChIKeyFTDPKQPPJXTVND-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.07
Rot. Bonds5

About N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide

N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide (PubChem CID 108962356) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide
PubChem CID108962356
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1ccccc1Br
InChIInChI=1S/C19H21BrN2O2/c1-19(2,17(23)21-16-12-8-7-11-15(16)20)18(24)22(3)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,23)
InChIKeyFTDPKQPPJXTVND-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962321
N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
CID 108962378
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962380
N-benzyl-N'-(4-chloro-2-methoxy-5-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962370
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108963266
N-benzyl-N'-[2-(4-chlorophenyl)ethyl]-N,2,2-trimethylpropanediamide
CID 108962265
N-(2-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 17173105
2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
CID 109010688
N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide?
The IUPAC name of N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide (CID 108962356) is N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide.
What is the SMILES notation for N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide?
The canonical SMILES for N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide is CN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1ccccc1Br.
What is the InChIKey of N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide?
The InChIKey is FTDPKQPPJXTVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-19(2,17(23)21-16-12-8-7-11-15(16)20)18(24)22(3)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,23).
What are the key properties of N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide?
N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide has a molecular weight of 389.29 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide is sourced from PubChem (CID 108962356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).