5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C23H18ClFN6O3 — CID 55892914

IUPAC5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C23H18ClFN6O3/c1-34-21-11-20(31-13-27-29-30-31)19(24)10-18(21)23(33)26-12-14-4-2-7-17(8-14)28-22(32)15-5-3-6-16(25)9-15/h2-11,13H,12H2,1H3,(H,26,33)(H,28,32)
InChIKeyOWIUJXHHRLKUBG-UHFFFAOYSA-N
MW480.89 g/mol
LogP3.65
Rot. Bonds7

About 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55892914) has the molecular formula C23H18ClFN6O3 and a molecular weight of 480.89 g/mol. Its IUPAC name is 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55892914
Molecular FormulaC23H18ClFN6O3
Molecular Weight480.89 g/mol
Exact Mass480.11
IUPAC Name5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C23H18ClFN6O3/c1-34-21-11-20(31-13-27-29-30-31)19(24)10-18(21)23(33)26-12-14-4-2-7-17(8-14)28-22(32)15-5-3-6-16(25)9-15/h2-11,13H,12H2,1H3,(H,26,33)(H,28,32)
InChIKeyOWIUJXHHRLKUBG-UHFFFAOYSA-N
XLogP3.65
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.89
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55776331
3-fluoro-N-[3-[[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]methyl]phenyl]benzamide
CID 55894567
5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 55789527
5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 55773010
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55827929
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55892914) is 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is OWIUJXHHRLKUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6O3/c1-34-21-11-20(31-13-27-29-30-31)19(24)10-18(21)23(33)26-12-14-4-2-7-17(8-14)28-22(32)15-5-3-6-16(25)9-15/h2-11,13H,12H2,1H3,(H,26,33)(H,28,32).
What are the key properties of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 480.89 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55892914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).