N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide

C14H15ClFN3OS — CID 61438327

IUPACN-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(F)ccc1N)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClFN3OS/c1-19(7-10-3-5-13(15)21-10)8-14(20)18-12-6-9(16)2-4-11(12)17/h2-6H,7-8,17H2,1H3,(H,18,20)
InChIKeyXRUSUMXSFINYRC-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.19
Rot. Bonds5

About N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide

N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide (PubChem CID 61438327) has the molecular formula C14H15ClFN3OS and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
PubChem CID61438327
Molecular FormulaC14H15ClFN3OS
Molecular Weight327.81 g/mol
Exact Mass327.06
IUPAC NameN-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(F)ccc1N)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClFN3OS/c1-19(7-10-3-5-13(15)21-10)8-14(20)18-12-6-9(16)2-4-11(12)17/h2-6H,7-8,17H2,1H3,(H,18,20)
InChIKeyXRUSUMXSFINYRC-UHFFFAOYSA-N
XLogP3.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.19
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-(2-amino-5-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426421
N-(2-amino-5-fluorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 43612145
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63014778
N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 24589255
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 24589254
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide (CID 61438327) is N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cc(F)ccc1N)Cc1ccc(Cl)s1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
The InChIKey is XRUSUMXSFINYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3OS/c1-19(7-10-3-5-13(15)21-10)8-14(20)18-12-6-9(16)2-4-11(12)17/h2-6H,7-8,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide?
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide has a molecular weight of 327.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 61438327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).