5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide

C14H13Cl2NO3 — CID 106690004

IUPAC5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)o2)cc1CCl
InChIInChI=1S/C14H13Cl2NO3/c1-2-19-11-4-3-10(7-9(11)8-15)17-14(18)12-5-6-13(16)20-12/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyOKICIUPFKYTHDQ-UHFFFAOYSA-N
MW314.17 g/mol
LogP4.32
Rot. Bonds5

About 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide

5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide (PubChem CID 106690004) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
PubChem CID106690004
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)o2)cc1CCl
InChIInChI=1S/C14H13Cl2NO3/c1-2-19-11-4-3-10(7-9(11)8-15)17-14(18)12-5-6-13(16)20-12/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyOKICIUPFKYTHDQ-UHFFFAOYSA-N
XLogP4.32
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
CID 114302970
4,5-dibromo-N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-2-carboxamide
CID 114302887
N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 114302940
N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
CID 104672631
N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-4-ethoxyaniline
CID 65025250
N-(4-ethoxy-3-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 17439560
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide (CID 106690004) is 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(Cl)o2)cc1CCl.
What is the InChIKey of 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide?
The InChIKey is OKICIUPFKYTHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-2-19-11-4-3-10(7-9(11)8-15)17-14(18)12-5-6-13(16)20-12/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide?
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide has a molecular weight of 314.17 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 106690004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).