N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C19H12ClFN6O2S — CID 55813793

IUPACN-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H12ClFN6O2S/c20-13-5-3-11(8-15(13)23-19(29)17-2-1-7-30-17)18(28)24-16-9-12(4-6-14(16)21)27-10-22-25-26-27/h1-10H,(H,23,29)(H,24,28)
InChIKeySHBFVQIWUWIXIP-UHFFFAOYSA-N
MW442.86 g/mol
LogP4.02
Rot. Bonds5

About N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55813793) has the molecular formula C19H12ClFN6O2S and a molecular weight of 442.86 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55813793
Molecular FormulaC19H12ClFN6O2S
Molecular Weight442.86 g/mol
Exact Mass442.04
IUPAC NameN-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H12ClFN6O2S/c20-13-5-3-11(8-15(13)23-19(29)17-2-1-7-30-17)18(28)24-16-9-12(4-6-14(16)21)27-10-22-25-26-27/h1-10H,(H,23,29)(H,24,28)
InChIKeySHBFVQIWUWIXIP-UHFFFAOYSA-N
XLogP4.02
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34548469
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37122573
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 50777053
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55814140
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 55813793) is N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SHBFVQIWUWIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN6O2S/c20-13-5-3-11(8-15(13)23-19(29)17-2-1-7-30-17)18(28)24-16-9-12(4-6-14(16)21)27-10-22-25-26-27/h1-10H,(H,23,29)(H,24,28).
What are the key properties of N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 442.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55813793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).