3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

C15H15BrClNOS — CID 107999560

IUPAC3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2ccc(Cl)c(Br)c2)s1
InChIInChI=1S/C15H15BrClNOS/c1-9(7-12-5-3-10(2)20-12)18-15(19)11-4-6-14(17)13(16)8-11/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyQDKYNMBBRDPOAR-UHFFFAOYSA-N
MW372.72 g/mol
LogP4.83
Rot. Bonds4

About 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (PubChem CID 107999560) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
PubChem CID107999560
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC Name3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2ccc(Cl)c(Br)c2)s1
InChIInChI=1S/C15H15BrClNOS/c1-9(7-12-5-3-10(2)20-12)18-15(19)11-4-6-14(17)13(16)8-11/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyQDKYNMBBRDPOAR-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
CID 107030799
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796744
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 138992320
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (CID 107999560) is 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is Cc1ccc(CC(C)NC(=O)c2ccc(Cl)c(Br)c2)s1.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The InChIKey is QDKYNMBBRDPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-9(7-12-5-3-10(2)20-12)18-15(19)11-4-6-14(17)13(16)8-11/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide has a molecular weight of 372.72 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 107999560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).