3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide

C15H21BrClNO — CID 107999335

IUPAC3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClNO/c1-10(2)8-18(9-11(3)4)15(19)12-5-6-14(17)13(16)7-12/h5-7,10-11H,8-9H2,1-4H3
InChIKeyFAZVUCPCUZJLEZ-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.86
Rot. Bonds5

About 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide

3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide (PubChem CID 107999335) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
PubChem CID107999335
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClNO/c1-10(2)8-18(9-11(3)4)15(19)12-5-6-14(17)13(16)7-12/h5-7,10-11H,8-9H2,1-4H3
InChIKeyFAZVUCPCUZJLEZ-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
3-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
3-chloro-N,N-bis(2-methylpropyl)-4-nitrobenzamide
CID 82776447
N-(2-amino-2-oxoethyl)-4-chloro-3-methyl-N-(2-methylpropyl)benzamide
CID 91659506
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide (CID 107999335) is 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is FAZVUCPCUZJLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-10(2)8-18(9-11(3)4)15(19)12-5-6-14(17)13(16)7-12/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide?
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 346.70 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 107999335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).