3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide

C10H11Cl2NOS — CID 80641189

IUPAC3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1sccc1Cl)N(CCCl)C1CC1
InChIInChI=1S/C10H11Cl2NOS/c11-4-5-13(7-1-2-7)10(14)9-8(12)3-6-15-9/h3,6-7H,1-2,4-5H2
InChIKeyYISLCSJHDUGWPT-UHFFFAOYSA-N
MW264.18 g/mol
LogP3.24
Rot. Bonds4

About 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide

3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide (PubChem CID 80641189) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
PubChem CID80641189
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC Name3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1sccc1Cl)N(CCCl)C1CC1
InChIInChI=1S/C10H11Cl2NOS/c11-4-5-13(7-1-2-7)10(14)9-8(12)3-6-15-9/h3,6-7H,1-2,4-5H2
InChIKeyYISLCSJHDUGWPT-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 53.24
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

3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
1-(3-chlorothiophen-2-yl)-2-cycloheptylethanone
CID 114457393
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 80641115

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide (CID 80641189) is 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide is O=C(c1sccc1Cl)N(CCCl)C1CC1.
What is the InChIKey of 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is YISLCSJHDUGWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c11-4-5-13(7-1-2-7)10(14)9-8(12)3-6-15-9/h3,6-7H,1-2,4-5H2.
What are the key properties of 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide?
3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 264.18 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 80641189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).