N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide

C14H13Cl2NO2 — CID 106689849

IUPACN-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
SMILESO=C(c1ccc(Cl)o1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H13Cl2NO2/c15-8-9-17(10-11-4-2-1-3-5-11)14(18)12-6-7-13(16)19-12/h1-7H,8-10H2
InChIKeyOCJHKMWJIBEWBU-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.81
Rot. Bonds5

About N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide

N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide (PubChem CID 106689849) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
PubChem CID106689849
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC NameN-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
SMILESO=C(c1ccc(Cl)o1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H13Cl2NO2/c15-8-9-17(10-11-4-2-1-3-5-11)14(18)12-6-7-13(16)19-12/h1-7H,8-10H2
InChIKeyOCJHKMWJIBEWBU-UHFFFAOYSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.81
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

N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102
N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961
N-benzyl-4,5-dibromo-N-(2-chloroethyl)thiophene-2-carboxamide
CID 80538131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide (CID 106689849) is N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide is O=C(c1ccc(Cl)o1)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide?
The InChIKey is OCJHKMWJIBEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-8-9-17(10-11-4-2-1-3-5-11)14(18)12-6-7-13(16)19-12/h1-7H,8-10H2.
What are the key properties of N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide?
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide is sourced from PubChem (CID 106689849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).