N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide

C12H10ClNOS — CID 114298046

IUPACN-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1cccs1
InChIInChI=1S/C12H10ClNOS/c13-8-9-4-1-2-5-10(9)14-12(15)11-6-3-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyAMVKSEBIJUDVGW-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.74
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide

N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 114298046) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
PubChem CID114298046
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC NameN-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1cccs1
InChIInChI=1S/C12H10ClNOS/c13-8-9-4-1-2-5-10(9)14-12(15)11-6-3-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyAMVKSEBIJUDVGW-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.74
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-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298256
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
CID 113271900
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[2-(chloromethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 114298566
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide (CID 114298046) is N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1CCl)c1cccs1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is AMVKSEBIJUDVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-8-9-4-1-2-5-10(9)14-12(15)11-6-3-7-16-11/h1-7H,8H2,(H,14,15).
What are the key properties of N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide?
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 251.74 g/mol, XLogP of 3.74, 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]thiophene-2-carboxamide is sourced from PubChem (CID 114298046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).