5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

C12H9Cl2NOS — CID 9165422

IUPAC5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2NOS/c13-9-3-1-2-8(6-9)7-15-12(16)10-4-5-11(14)17-10/h1-6H,7H2,(H,15,16)
InChIKeyNRFRWDYWXVKQIV-UHFFFAOYSA-N
MW286.18 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 9165422) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
PubChem CID9165422
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2NOS/c13-9-3-1-2-8(6-9)7-15-12(16)10-4-5-11(14)17-10/h1-6H,7H2,(H,15,16)
InChIKeyNRFRWDYWXVKQIV-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 62532102
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238039
5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46470172
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 65126522
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide (CID 9165422) is 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is NRFRWDYWXVKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c13-9-3-1-2-8(6-9)7-15-12(16)10-4-5-11(14)17-10/h1-6H,7H2,(H,15,16).
What are the key properties of 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 286.18 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 9165422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).