N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide

C15H16ClNO3 — CID 114302970

IUPACN-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2occc2C)cc1CCl
InChIInChI=1S/C15H16ClNO3/c1-3-19-13-5-4-12(8-11(13)9-16)17-15(18)14-10(2)6-7-20-14/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyIJJNJUBIOGSDIC-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.98
Rot. Bonds5

About N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide

N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide (PubChem CID 114302970) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
PubChem CID114302970
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC NameN-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2occc2C)cc1CCl
InChIInChI=1S/C15H16ClNO3/c1-3-19-13-5-4-12(8-11(13)9-16)17-15(18)14-10(2)6-7-20-14/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyIJJNJUBIOGSDIC-UHFFFAOYSA-N
XLogP3.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-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-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
CID 106690004
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
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
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
4,5-dibromo-N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-2-carboxamide
CID 114302887
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003246
N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide
CID 113272873

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide (CID 114302970) is N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide is CCOc1ccc(NC(=O)c2occc2C)cc1CCl.
What is the InChIKey of N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide?
The InChIKey is IJJNJUBIOGSDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-3-19-13-5-4-12(8-11(13)9-16)17-15(18)14-10(2)6-7-20-14/h4-8H,3,9H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide?
N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 114302970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).