N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide

C12H15Br2NO — CID 134856584

IUPACN-[(4,5-dibromo-2-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(Br)c(Br)cc1C
InChIInChI=1S/C12H15Br2NO/c1-3-4-12(16)15-7-9-6-11(14)10(13)5-8(9)2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyRPAUTGKABBGPEO-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.94
Rot. Bonds4

About N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide

N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide (PubChem CID 134856584) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(4,5-dibromo-2-methylphenyl)methyl]butanamide
PubChem CID134856584
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC NameN-[(4,5-dibromo-2-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1cc(Br)c(Br)cc1C
InChIInChI=1S/C12H15Br2NO/c1-3-4-12(16)15-7-9-6-11(14)10(13)5-8(9)2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyRPAUTGKABBGPEO-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 800130
N-[3-(3-bromophenyl)propyl]butanamide
CID 10589086
N-[1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 2918642
N-(4-Bromobenzyl)Acrylamide
CID 57251115
N-(3-bromobenzyl)-2,2-dimethylbutanamide
CID 62679367
N-[1-(3-bromophenyl)propyl]acetamide
CID 2834229
N-[1-(4-bromophenyl)ethyl]propanamide
CID 2854151
N-[1-(4-bromophenyl)ethyl]acetamide
CID 2854373
Dodecanamide, N-(p-bromobenzyl)-
CID 59222
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CID 15640188

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide?
The IUPAC name of N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide (CID 134856584) is N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide is CCCC(=O)NCc1cc(Br)c(Br)cc1C.
What is the InChIKey of N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide?
The InChIKey is RPAUTGKABBGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-3-4-12(16)15-7-9-6-11(14)10(13)5-8(9)2/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide?
N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide has a molecular weight of 349.07 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromo-2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 134856584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).