4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide

C13H20ClNO2 — CID 82109628

IUPAC4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(CCl)c(C)o1
InChIInChI=1S/C13H20ClNO2/c1-4-6-15(7-5-2)13(16)12-8-11(9-14)10(3)17-12/h8H,4-7,9H2,1-3H3
InChIKeyCCLSFHHKNBTLQO-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.59
Rot. Bonds6

About 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide

4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide (PubChem CID 82109628) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide
PubChem CID82109628
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(CCl)c(C)o1
InChIInChI=1S/C13H20ClNO2/c1-4-6-15(7-5-2)13(16)12-8-11(9-14)10(3)17-12/h8H,4-7,9H2,1-3H3
InChIKeyCCLSFHHKNBTLQO-UHFFFAOYSA-N
XLogP3.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-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-butyl-4-(chloromethyl)-N,5-dimethylfuran-2-carboxamide
CID 82110585
4-[(dipropylamino)methyl]-5-methylfuran-2-carbonyl chloride
CID 39260612
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
CID 914782
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196
4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274669
4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide
CID 82109782
4-(chloromethyl)-N-(2-cyanopropan-2-yl)-5-methylfuran-2-carboxamide
CID 82109738
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307
[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 82108555
3-chloro-N-(2-chloroethyl)-5-methyl-N-propylbenzamide
CID 81324581
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide
CID 82108782

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide?
The IUPAC name of 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide (CID 82109628) is 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide?
The canonical SMILES for 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide is CCCN(CCC)C(=O)c1cc(CCl)c(C)o1.
What is the InChIKey of 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide?
The InChIKey is CCLSFHHKNBTLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-6-15(7-5-2)13(16)12-8-11(9-14)10(3)17-12/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide?
4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide has a molecular weight of 257.76 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide is sourced from PubChem (CID 82109628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).