N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C18H12BrClN2O2S — CID 60528117

IUPACN-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H12BrClN2O2S/c19-12-5-8-15(14(20)10-12)22-17(23)11-3-6-13(7-4-11)21-18(24)16-2-1-9-25-16/h1-10H,(H,21,24)(H,22,23)
InChIKeyYOXIOBLDCIFEIQ-UHFFFAOYSA-N
MW435.73 g/mol
LogP5.67
Rot. Bonds4

About N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 60528117) has the molecular formula C18H12BrClN2O2S and a molecular weight of 435.73 g/mol. Its IUPAC name is N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID60528117
Molecular FormulaC18H12BrClN2O2S
Molecular Weight435.73 g/mol
Exact Mass433.95
IUPAC NameN-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H12BrClN2O2S/c19-12-5-8-15(14(20)10-12)22-17(23)11-3-6-13(7-4-11)21-18(24)16-2-1-9-25-16/h1-10H,(H,21,24)(H,22,23)
InChIKeyYOXIOBLDCIFEIQ-UHFFFAOYSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.73
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
CID 142141961
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide
CID 91677806
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 17296780
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 60528117) is N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Br)cc1Cl)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is YOXIOBLDCIFEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2O2S/c19-12-5-8-15(14(20)10-12)22-17(23)11-3-6-13(7-4-11)21-18(24)16-2-1-9-25-16/h1-10H,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 435.73 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60528117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).