N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide

C14H16ClN3O2 — CID 61421770

IUPACN-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(N)ccc1Cl)Cc1ccoc1
InChIInChI=1S/C14H16ClN3O2/c1-18(7-10-4-5-20-9-10)8-14(19)17-13-6-11(16)2-3-12(13)15/h2-6,9H,7-8,16H2,1H3,(H,17,19)
InChIKeyKSWVSUQREVDBKQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.59
Rot. Bonds5

About N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide

N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide (PubChem CID 61421770) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
PubChem CID61421770
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(N)ccc1Cl)Cc1ccoc1
InChIInChI=1S/C14H16ClN3O2/c1-18(7-10-4-5-20-9-10)8-14(19)17-13-6-11(16)2-3-12(13)15/h2-6,9H,7-8,16H2,1H3,(H,17,19)
InChIKeyKSWVSUQREVDBKQ-UHFFFAOYSA-N
XLogP2.59
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421626
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61422115
N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
CID 54992924
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 43613723
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426561
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide (CID 61421770) is N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1cc(N)ccc1Cl)Cc1ccoc1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The InChIKey is KSWVSUQREVDBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18(7-10-4-5-20-9-10)8-14(19)17-13-6-11(16)2-3-12(13)15/h2-6,9H,7-8,16H2,1H3,(H,17,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide has a molecular weight of 293.75 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 61421770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).