N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide

C18H19BrN2O2 — CID 108967197

IUPACN'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2ccccc2)ccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-11-14(9-10-15(12)19)21-17(23)18(2,3)16(22)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGCLCRKOFOOBZPD-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.36
Rot. Bonds4

About N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide

N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide (PubChem CID 108967197) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
PubChem CID108967197
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2ccccc2)ccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-11-14(9-10-15(12)19)21-17(23)18(2,3)16(22)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGCLCRKOFOOBZPD-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
CID 62488915
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959594
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
ethane;phenyl N-(4-bromo-3-methylphenyl)carbamate
CID 178164704
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
3-(4-bromo-3-fluoroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821308

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide (CID 108967197) is N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide is Cc1cc(NC(=O)C(C)(C)C(=O)Nc2ccccc2)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide?
The InChIKey is GCLCRKOFOOBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-11-14(9-10-15(12)19)21-17(23)18(2,3)16(22)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide?
N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide has a molecular weight of 375.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide is sourced from PubChem (CID 108967197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).