2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide

C22H18FN7O2 — CID 56514274

IUPAC2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CNc1cc(-n2cnnn2)ccc1F)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H18FN7O2/c23-18-11-10-16(30-14-25-28-29-30)12-20(18)24-13-21(31)27-19-9-5-4-8-17(19)22(32)26-15-6-2-1-3-7-15/h1-12,14,24H,13H2,(H,26,32)(H,27,31)
InChIKeyWCTCUPXLVSJBIX-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.10
Rot. Bonds7

About 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide

2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide (PubChem CID 56514274) has the molecular formula C22H18FN7O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
PubChem CID56514274
Molecular FormulaC22H18FN7O2
Molecular Weight431.43 g/mol
Exact Mass431.15
IUPAC Name2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CNc1cc(-n2cnnn2)ccc1F)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H18FN7O2/c23-18-11-10-16(30-14-25-28-29-30)12-20(18)24-13-21(31)27-19-9-5-4-8-17(19)22(32)26-15-6-2-1-3-7-15/h1-12,14,24H,13H2,(H,26,32)(H,27,31)
InChIKeyWCTCUPXLVSJBIX-UHFFFAOYSA-N
XLogP3.10
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide (CID 56514274) is 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide is O=C(CNc1cc(-n2cnnn2)ccc1F)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is WCTCUPXLVSJBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O2/c23-18-11-10-16(30-14-25-28-29-30)12-20(18)24-13-21(31)27-19-9-5-4-8-17(19)22(32)26-15-6-2-1-3-7-15/h1-12,14,24H,13H2,(H,26,32)(H,27,31).
What are the key properties of 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 431.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 56514274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).