N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide

C9H11BrClNO2 — CID 60949729

IUPACN-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CCCl
InChIInChI=1S/C9H11BrClNO2/c1-12(9(13)4-5-11)6-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3
InChIKeyXRZNSOGTMLTGGW-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.63
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide

N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide (PubChem CID 60949729) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
PubChem CID60949729
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CCCl
InChIInChI=1S/C9H11BrClNO2/c1-12(9(13)4-5-11)6-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3
InChIKeyXRZNSOGTMLTGGW-UHFFFAOYSA-N
XLogP2.63
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide
CID 65292328
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960349
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
1-[(5-bromofuran-2-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699895
2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
CID 61108813

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide (CID 60949729) is N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide is CN(Cc1ccc(Br)o1)C(=O)CCCl.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide?
The InChIKey is XRZNSOGTMLTGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c1-12(9(13)4-5-11)6-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide?
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide has a molecular weight of 280.55 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide is sourced from PubChem (CID 60949729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).