5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide

C17H25BrClNO — CID 60653063

IUPAC5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H25BrClNO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(18)5-6-16(15)19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyGZLNKZFTTRVFHB-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.64
Rot. Bonds7

About 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide

5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide (PubChem CID 60653063) has the molecular formula C17H25BrClNO and a molecular weight of 374.75 g/mol. Its IUPAC name is 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
PubChem CID60653063
Molecular FormulaC17H25BrClNO
Molecular Weight374.75 g/mol
Exact Mass373.08
IUPAC Name5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H25BrClNO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(18)5-6-16(15)19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyGZLNKZFTTRVFHB-UHFFFAOYSA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
CID 114371455
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
4-bromo-N,N-bis(3-methylbutyl)-2-sulfanylbenzamide
CID 107871654
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
CID 63525644
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
CID 82960004
N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide
CID 156846570
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-bromo-2-chloro-N-ethylbenzamide
CID 54992466

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide (CID 60653063) is 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide is CC(C)CCN(CCC(C)C)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is GZLNKZFTTRVFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClNO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(18)5-6-16(15)19/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide?
5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 374.75 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 60653063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).