3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide

C15H15BrClNO2 — CID 107999462

IUPAC3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2/c1-10(4-6-12-3-2-8-20-12)18-15(19)11-5-7-14(17)13(16)9-11/h2-3,5,7-10H,4,6H2,1H3,(H,18,19)
InChIKeyKBZHNNZNLVHAHS-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.45
Rot. Bonds5

About 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide

3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 107999462) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID107999462
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2/c1-10(4-6-12-3-2-8-20-12)18-15(19)11-5-7-14(17)13(16)9-11/h2-3,5,7-10H,4,6H2,1H3,(H,18,19)
InChIKeyKBZHNNZNLVHAHS-UHFFFAOYSA-N
XLogP4.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 107999462) is 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide is CC(CCc1ccco1)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is KBZHNNZNLVHAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-10(4-6-12-3-2-8-20-12)18-15(19)11-5-7-14(17)13(16)9-11/h2-3,5,7-10H,4,6H2,1H3,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 356.65 g/mol, XLogP of 4.45, 5 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-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 107999462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).