N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride

C7H8ClNO2 — CID 115194566

IUPACN-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride
SMILESCc1ccc(N(C)C(=O)Cl)o1
InChIInChI=1S/C7H8ClNO2/c1-5-3-4-6(11-5)9(2)7(8)10/h3-4H,1-2H3
InChIKeyCFXKKEDJGIRQGB-UHFFFAOYSA-N
MW173.60 g/mol
LogP2.38
Rot. Bonds1

About N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride

N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride (PubChem CID 115194566) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride
PubChem CID115194566
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC NameN-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride
SMILESCc1ccc(N(C)C(=O)Cl)o1
InChIInChI=1S/C7H8ClNO2/c1-5-3-4-6(11-5)9(2)7(8)10/h3-4H,1-2H3
InChIKeyCFXKKEDJGIRQGB-UHFFFAOYSA-N
XLogP2.38
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
CID 115175550
3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
CID 115138943
ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate
CID 115141938
2-amino-3-[methyl-(5-methylfuran-2-yl)amino]-3-oxopropanoic acid
CID 115179254
N-methyl-4-(methylamino)-N-(5-methylfuran-2-yl)benzamide
CID 115161099
4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
CID 115151184
3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185619
N-methyl-N-(5-methylfuran-2-yl)-2-piperidin-3-ylacetamide
CID 115160587
3-hydroxy-4-[methyl-(5-methylfuran-2-yl)amino]butanoic acid
CID 115122985
N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178391
4-chloro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115127679
4-[[methyl-(5-methylfuran-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115221914

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride?
The IUPAC name of N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride (CID 115194566) is N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride.
What is the SMILES notation for N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride?
The canonical SMILES for N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride is Cc1ccc(N(C)C(=O)Cl)o1.
What is the InChIKey of N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride?
The InChIKey is CFXKKEDJGIRQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-5-3-4-6(11-5)9(2)7(8)10/h3-4H,1-2H3.
What are the key properties of N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride?
N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride has a molecular weight of 173.60 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride is sourced from PubChem (CID 115194566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).