2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide

C17H14F2N6O2 — CID 34549994

IUPAC2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H14F2N6O2/c18-11-4-5-14(15(19)8-11)17(27)20-7-6-16(26)22-12-2-1-3-13(9-12)25-10-21-23-24-25/h1-5,8-10H,6-7H2,(H,20,27)(H,22,26)
InChIKeyMMOVFRUKWCGLMF-UHFFFAOYSA-N
MW372.34 g/mol
LogP1.70
Rot. Bonds6

About 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide

2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide (PubChem CID 34549994) has the molecular formula C17H14F2N6O2 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
PubChem CID34549994
Molecular FormulaC17H14F2N6O2
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H14F2N6O2/c18-11-4-5-14(15(19)8-11)17(27)20-7-6-16(26)22-12-2-1-3-13(9-12)25-10-21-23-24-25/h1-5,8-10H,6-7H2,(H,20,27)(H,22,26)
InChIKeyMMOVFRUKWCGLMF-UHFFFAOYSA-N
XLogP1.70
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
CID 29452089
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
N-[3-(3-ethynylanilino)-3-oxopropyl]-2,4-difluorobenzamide
CID 134043041
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 119053119
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide (CID 34549994) is 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide?
The InChIKey is MMOVFRUKWCGLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6O2/c18-11-4-5-14(15(19)8-11)17(27)20-7-6-16(26)22-12-2-1-3-13(9-12)25-10-21-23-24-25/h1-5,8-10H,6-7H2,(H,20,27)(H,22,26).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide has a molecular weight of 372.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide is sourced from PubChem (CID 34549994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).