N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide

C13H13ClN2OS — CID 103110206

IUPACN-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
SMILESCc1c(N)cccc1CNC(=O)c1sccc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-8-9(3-2-4-11(8)15)7-16-13(17)12-10(14)5-6-18-12/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyVUKUBNXFBIOLOL-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.22
Rot. Bonds3

About N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide

N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide (PubChem CID 103110206) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
PubChem CID103110206
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
SMILESCc1c(N)cccc1CNC(=O)c1sccc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-8-9(3-2-4-11(8)15)7-16-13(17)12-10(14)5-6-18-12/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyVUKUBNXFBIOLOL-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
CID 106500148
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
CID 103110241
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 114244691
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 103110160
methyl 2-chloro-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492752
N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide (CID 103110206) is N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide is Cc1c(N)cccc1CNC(=O)c1sccc1Cl.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide?
The InChIKey is VUKUBNXFBIOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8-9(3-2-4-11(8)15)7-16-13(17)12-10(14)5-6-18-12/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide?
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 103110206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).