2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide

C15H9Cl2FN6O2 — CID 11625371

IUPAC2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C15H9Cl2FN6O2/c16-10-6-8(18)2-3-9(10)14(25)20-15(26)19-12-4-1-7(5-11(12)17)13-21-23-24-22-13/h1-6H,(H2,19,20,25,26)(H,21,22,23,24)
InChIKeyCCAFTABFVHQSJG-UHFFFAOYSA-N
MW395.18 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide

2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide (PubChem CID 11625371) has the molecular formula C15H9Cl2FN6O2 and a molecular weight of 395.18 g/mol. Its IUPAC name is 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide
PubChem CID11625371
Molecular FormulaC15H9Cl2FN6O2
Molecular Weight395.18 g/mol
Exact Mass394.01
IUPAC Name2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C15H9Cl2FN6O2/c16-10-6-8(18)2-3-9(10)14(25)20-15(26)19-12-4-1-7(5-11(12)17)13-21-23-24-22-13/h1-6H,(H2,19,20,25,26)(H,21,22,23,24)
InChIKeyCCAFTABFVHQSJG-UHFFFAOYSA-N
XLogP3.27
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.18
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide (CID 11625371) is 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide is O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nn[nH]n2)cc1Cl.
What is the InChIKey of 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide?
The InChIKey is CCAFTABFVHQSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN6O2/c16-10-6-8(18)2-3-9(10)14(25)20-15(26)19-12-4-1-7(5-11(12)17)13-21-23-24-22-13/h1-6H,(H2,19,20,25,26)(H,21,22,23,24).
What are the key properties of 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide?
2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide has a molecular weight of 395.18 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-chloro-4-(2H-tetrazol-5-yl)phenyl]carbamoyl]-4-fluorobenzamide is sourced from PubChem (CID 11625371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).