N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

C19H21BrN2O2 — CID 108968044

IUPACN-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-8-13(2)10-16(9-12)22-18(24)19(3,4)17(23)21-15-7-5-6-14(20)11-15/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyBLPSPZHMINQXMB-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.67
Rot. Bonds4

About N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968044) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968044
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-8-13(2)10-16(9-12)22-18(24)19(3,4)17(23)21-15-7-5-6-14(20)11-15/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyBLPSPZHMINQXMB-UHFFFAOYSA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.67
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

N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
N-(3-bromophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963762
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967197
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968527

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108968044) is N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is BLPSPZHMINQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-8-13(2)10-16(9-12)22-18(24)19(3,4)17(23)21-15-7-5-6-14(20)11-15/h5-11H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 389.29 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).