N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide

C13H12ClNOS — CID 114298265

IUPACN-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1CCl
InChIInChI=1S/C13H12ClNOS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyBKZILSWQOSOZQM-UHFFFAOYSA-N
MW265.76 g/mol
LogP4.05
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide

N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 114298265) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID114298265
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC NameN-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1CCl
InChIInChI=1S/C13H12ClNOS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyBKZILSWQOSOZQM-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide (CID 114298265) is N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1CCl.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is BKZILSWQOSOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9-6-7-17-12(9)13(16)15-11-5-3-2-4-10(11)8-14/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 265.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 114298265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).