4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide

C21H15F2N7O2 — CID 69451323

IUPAC4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C21H15F2N7O2/c22-13-7-14(23)9-16(8-13)26-21(32)25-15-5-6-17(18(10-15)20-27-29-30-28-20)11-1-3-12(4-2-11)19(24)31/h1-10H,(H2,24,31)(H2,25,26,32)(H,27,28,29,30)
InChIKeyYUCIFEBNUALIJB-UHFFFAOYSA-N
MW435.39 g/mol
LogP3.55
Rot. Bonds5

About 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide

4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 69451323) has the molecular formula C21H15F2N7O2 and a molecular weight of 435.39 g/mol. Its IUPAC name is 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID69451323
Molecular FormulaC21H15F2N7O2
Molecular Weight435.39 g/mol
Exact Mass435.13
IUPAC Name4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C21H15F2N7O2/c22-13-7-14(23)9-16(8-13)26-21(32)25-15-5-6-17(18(10-15)20-27-29-30-28-20)11-1-3-12(4-2-11)19(24)31/h1-10H,(H2,24,31)(H2,25,26,32)(H,27,28,29,30)
InChIKeyYUCIFEBNUALIJB-UHFFFAOYSA-N
XLogP3.55
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 11189524
1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 10452652
4-[4-[(4-methoxyphenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11853644
1-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 170434313
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(piperidine-1-carbonyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]urea
CID 10460651
2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
CID 10069617
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
4-[(3,5-difluorophenyl)carbamothioylamino]benzamide
CID 53488879
1-(3-chloro-5-fluorophenyl)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178778
4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide
CID 108873391
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 158054063

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide (CID 69451323) is 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is YUCIFEBNUALIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7O2/c22-13-7-14(23)9-16(8-13)26-21(32)25-15-5-6-17(18(10-15)20-27-29-30-28-20)11-1-3-12(4-2-11)19(24)31/h1-10H,(H2,24,31)(H2,25,26,32)(H,27,28,29,30).
What are the key properties of 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide?
4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 435.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 69451323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).