3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

C16H10Cl2FN5O — CID 55814140

IUPAC3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cc(Cl)ccc1Cl)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C16H10Cl2FN5O/c17-11-2-4-13(18)10(7-11)1-6-16(25)21-15-8-12(3-5-14(15)19)24-9-20-22-23-24/h1-9H,(H,21,25)
InChIKeyGBECONCGOXTECN-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.76
Rot. Bonds4

About 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 55814140) has the molecular formula C16H10Cl2FN5O and a molecular weight of 378.19 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
PubChem CID55814140
Molecular FormulaC16H10Cl2FN5O
Molecular Weight378.19 g/mol
Exact Mass377.02
IUPAC Name3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cc(Cl)ccc1Cl)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C16H10Cl2FN5O/c17-11-2-4-13(18)10(7-11)1-6-16(25)21-15-8-12(3-5-14(15)19)24-9-20-22-23-24/h1-9H,(H,21,25)
InChIKeyGBECONCGOXTECN-UHFFFAOYSA-N
XLogP3.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55992377
tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide
CID 175653164
3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55812028
3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55813949
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55813793
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (CID 55814140) is 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is O=C(C=Cc1cc(Cl)ccc1Cl)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is GBECONCGOXTECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN5O/c17-11-2-4-13(18)10(7-11)1-6-16(25)21-15-8-12(3-5-14(15)19)24-9-20-22-23-24/h1-9H,(H,21,25).
What are the key properties of 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 378.19 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55814140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).