N,N-bis(2-chloroethyl)furan-2-carboxamide

C9H11Cl2NO2 — CID 15923

IUPACN,N-bis(2-chloroethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCl)CCCl
InChIInChI=1S/C9H11Cl2NO2/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3-6H2
InChIKeyFDXZANUMEUHQMF-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.20
Rot. Bonds5

About N,N-bis(2-chloroethyl)furan-2-carboxamide

N,N-bis(2-chloroethyl)furan-2-carboxamide (PubChem CID 15923) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)furan-2-carboxamide
PubChem CID15923
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC NameN,N-bis(2-chloroethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCl)CCCl
InChIInChI=1S/C9H11Cl2NO2/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3-6H2
InChIKeyFDXZANUMEUHQMF-UHFFFAOYSA-N
XLogP2.20
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-bis(2-chloroethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzylfuran-2-carboxamide
CID 762503
N-butyl-N-decylfuran-2-carboxamide
CID 91700689
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893
N-(2-aminoethyl)-N-ethylfuran-2-carboxamide
CID 28707635
3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
CID 82324378
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
CID 107493246
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
N-benzyl-N-(cyanomethyl)furan-2-carboxamide
CID 61035761
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)furan-2-carboxamide?
The IUPAC name of N,N-bis(2-chloroethyl)furan-2-carboxamide (CID 15923) is N,N-bis(2-chloroethyl)furan-2-carboxamide.
What is the SMILES notation for N,N-bis(2-chloroethyl)furan-2-carboxamide?
The canonical SMILES for N,N-bis(2-chloroethyl)furan-2-carboxamide is O=C(c1ccco1)N(CCCl)CCCl.
What is the InChIKey of N,N-bis(2-chloroethyl)furan-2-carboxamide?
The InChIKey is FDXZANUMEUHQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3-6H2.
What are the key properties of N,N-bis(2-chloroethyl)furan-2-carboxamide?
N,N-bis(2-chloroethyl)furan-2-carboxamide has a molecular weight of 236.10 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)furan-2-carboxamide is sourced from PubChem (CID 15923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).