2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide

C16H18ClNO2 — CID 106686184

IUPAC2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1ccoc1Cl
InChIInChI=1S/C16H18ClNO2/c1-3-9-18(11-13-6-4-12(2)5-7-13)16(19)14-8-10-20-15(14)17/h4-8,10H,3,9,11H2,1-2H3
InChIKeyPMRQOZILUGGMEQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.29
Rot. Bonds5

About 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide

2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide (PubChem CID 106686184) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
PubChem CID106686184
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1ccoc1Cl
InChIInChI=1S/C16H18ClNO2/c1-3-9-18(11-13-6-4-12(2)5-7-13)16(19)14-8-10-20-15(14)17/h4-8,10H,3,9,11H2,1-2H3
InChIKeyPMRQOZILUGGMEQ-UHFFFAOYSA-N
XLogP4.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
CID 62687071
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686196
N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80625347
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 47013464
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide (CID 106686184) is 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide is CCCN(Cc1ccc(C)cc1)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide?
The InChIKey is PMRQOZILUGGMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-9-18(11-13-6-4-12(2)5-7-13)16(19)14-8-10-20-15(14)17/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide?
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide is sourced from PubChem (CID 106686184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).