4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide

C14H19BrClNO — CID 80979921

IUPAC4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-9(2)7-10(3)17(4)14(18)11-5-6-12(15)13(16)8-11/h5-6,8-10H,7H2,1-4H3
InChIKeyUZWOJGOYSTWRBU-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.61
Rot. Bonds4

About 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide

4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 80979921) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID80979921
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-9(2)7-10(3)17(4)14(18)11-5-6-12(15)13(16)8-11/h5-6,8-10H,7H2,1-4H3
InChIKeyUZWOJGOYSTWRBU-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 81005730
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633
4-bromo-3-chloro-N-(1-cyanoethyl)-N-methylbenzamide
CID 81295295
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81307886
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-hydrazinyl-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 63211529
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
3-fluoro-N-methyl-N-(4-methylpentan-2-yl)-4-nitrobenzamide
CID 62681818

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 80979921) is 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)N(C)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is UZWOJGOYSTWRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-9(2)7-10(3)17(4)14(18)11-5-6-12(15)13(16)8-11/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 332.67 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 80979921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).