N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide

C12H9BrClNOS — CID 62276684

IUPACN-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H9BrClNOS/c13-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(14)17-10/h1-6H,7H2,(H,15,16)
InChIKeyFSLNPXWKTZAIHH-UHFFFAOYSA-N
MW330.63 g/mol
LogP4.09
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide

N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 62276684) has the molecular formula C12H9BrClNOS and a molecular weight of 330.63 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
PubChem CID62276684
Molecular FormulaC12H9BrClNOS
Molecular Weight330.63 g/mol
Exact Mass328.93
IUPAC NameN-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1ccc(Cl)s1
InChIInChI=1S/C12H9BrClNOS/c13-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(14)17-10/h1-6H,7H2,(H,15,16)
InChIKeyFSLNPXWKTZAIHH-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
N-[[2-(4-bromophenyl)-3-oxo-1H-pyrazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 91378573
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
4-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119246993
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 47098883
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 90536055

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide (CID 62276684) is N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide is O=C(NCc1ccc(Br)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is FSLNPXWKTZAIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNOS/c13-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(14)17-10/h1-6H,7H2,(H,15,16).
What are the key properties of N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide?
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 330.63 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 62276684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).