2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide

C14H14ClNOS — CID 39380130

IUPAC2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1N(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C14H14ClNOS/c1-11-5-2-3-7-13(11)16(14(17)9-15)10-12-6-4-8-18-12/h2-8H,9-10H2,1H3
InChIKeyMNPBLXDVEGYSBC-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.83
Rot. Bonds4

About 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide

2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 39380130) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID39380130
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1N(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C14H14ClNOS/c1-11-5-2-3-7-13(11)16(14(17)9-15)10-12-6-4-8-18-12/h2-8H,9-10H2,1H3
InChIKeyMNPBLXDVEGYSBC-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39456181
2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
2-chloro-N-hydroxy-N-(2-methylphenyl)acetamide
CID 134890340
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 39398782
2-chloro-N-(2,3-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425799
2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
CID 14292484
N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 28770521
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719
N-(2-chlorophenyl)-2-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35341413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 39380130) is 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccccc1N(Cc1cccs1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MNPBLXDVEGYSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-11-5-2-3-7-13(11)16(14(17)9-15)10-12-6-4-8-18-12/h2-8H,9-10H2,1H3.
What are the key properties of 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 279.79 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 39380130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).