N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide

C18H19BrClNO — CID 11639513

IUPACN-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrClNO/c1-18(2,3)17(22)21(15-10-8-14(19)9-11-15)12-13-6-4-5-7-16(13)20/h4-11H,12H2,1-3H3
InChIKeyMRONNCGDUKJLHT-UHFFFAOYSA-N
MW380.71 g/mol
LogP5.68
Rot. Bonds3

About N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide

N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 11639513) has the molecular formula C18H19BrClNO and a molecular weight of 380.71 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide
PubChem CID11639513
Molecular FormulaC18H19BrClNO
Molecular Weight380.71 g/mol
Exact Mass379.03
IUPAC NameN-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrClNO/c1-18(2,3)17(22)21(15-10-8-14(19)9-11-15)12-13-6-4-5-7-16(13)20/h4-11H,12H2,1-3H3
InChIKeyMRONNCGDUKJLHT-UHFFFAOYSA-N
XLogP5.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.71
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide (CID 11639513) is N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(Cc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is MRONNCGDUKJLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO/c1-18(2,3)17(22)21(15-10-8-14(19)9-11-15)12-13-6-4-5-7-16(13)20/h4-11H,12H2,1-3H3.
What are the key properties of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide?
N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 380.71 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11639513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).