2,4-dibromo-N,N-bis(2-methylpropyl)benzamide

C15H21Br2NO — CID 107951816

IUPAC2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H21Br2NO/c1-10(2)8-18(9-11(3)4)15(19)13-6-5-12(16)7-14(13)17/h5-7,10-11H,8-9H2,1-4H3
InChIKeyYSQYWAPMOKAUCA-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.97
Rot. Bonds5

About 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide

2,4-dibromo-N,N-bis(2-methylpropyl)benzamide (PubChem CID 107951816) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
PubChem CID107951816
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H21Br2NO/c1-10(2)8-18(9-11(3)4)15(19)13-6-5-12(16)7-14(13)17/h5-7,10-11H,8-9H2,1-4H3
InChIKeyYSQYWAPMOKAUCA-UHFFFAOYSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[bis(2-methylpropyl)carbamoyl]-5-bromobenzoate
CID 176716063
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
CID 114371455
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2,4-dibromo-N-ethylbenzamide
CID 107940516
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
1-(2,4-dibromophenyl)-5-methylhexan-1-one
CID 107944718
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
CID 63525644
4-bromo-N,N-bis(3-methylbutyl)-2-sulfanylbenzamide
CID 107871654
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide (CID 107951816) is 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is YSQYWAPMOKAUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-10(2)8-18(9-11(3)4)15(19)13-6-5-12(16)7-14(13)17/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide?
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 391.15 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 107951816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).