N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide

C15H17ClN2O2 — CID 106683116

IUPACN-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
SMILESCCCN(Cc1ccccc1N)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H17ClN2O2/c1-2-9-18(10-11-5-3-4-6-12(11)17)15(19)13-7-8-14(16)20-13/h3-8H,2,9-10,17H2,1H3
InChIKeyZBTCLYABIOTWKU-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.57
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide

N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide (PubChem CID 106683116) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
PubChem CID106683116
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
SMILESCCCN(Cc1ccccc1N)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H17ClN2O2/c1-2-9-18(10-11-5-3-4-6-12(11)17)15(19)13-7-8-14(16)20-13/h3-8H,2,9-10,17H2,1H3
InChIKeyZBTCLYABIOTWKU-UHFFFAOYSA-N
XLogP3.57
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 764191
N-(2-chlorophenyl)-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 13653803
N-[4-chloro-2-(1-piperidinylcarbonyl)phenyl]-2-furamide
CID 891930
N-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 1252875
N-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2236865
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 2516825
N-[2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 5766751
N-(4-Chloro-2-methyl-phenyl)-2-[4-(furan-2-carbonyl)-piperazin-1-yl]-acetamide
CID 1148527
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 1314948
N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 3153146
3'-Chloro-4'-methyl-2-furanilide
CID 303389
N-[4-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 849798

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide (CID 106683116) is N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide is CCCN(Cc1ccccc1N)C(=O)c1ccc(Cl)o1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide?
The InChIKey is ZBTCLYABIOTWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-9-18(10-11-5-3-4-6-12(11)17)15(19)13-7-8-14(16)20-13/h3-8H,2,9-10,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide?
N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide is sourced from PubChem (CID 106683116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).