N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide

C16H12BrClFN5O2 — CID 86868037

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C16H12BrClFN5O2/c1-26-15-6-14(24-8-21-22-23-24)12(18)5-10(15)16(25)20-7-9-2-3-11(17)13(19)4-9/h2-6,8H,7H2,1H3,(H,20,25)
InChIKeyNEEZQMGPWQJVMG-UHFFFAOYSA-N
MW440.66 g/mol
LogP3.16
Rot. Bonds5

About N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide

N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 86868037) has the molecular formula C16H12BrClFN5O2 and a molecular weight of 440.66 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID86868037
Molecular FormulaC16H12BrClFN5O2
Molecular Weight440.66 g/mol
Exact Mass438.98
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C16H12BrClFN5O2/c1-26-15-6-14(24-8-21-22-23-24)12(18)5-10(15)16(25)20-7-9-2-3-11(17)13(19)4-9/h2-6,8H,7H2,1H3,(H,20,25)
InChIKeyNEEZQMGPWQJVMG-UHFFFAOYSA-N
XLogP3.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
5-chloro-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 55789527
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
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-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775549
N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87005767
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077
5-chloro-2-methoxy-N-[2-[(2R)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512621
5-chloro-2-methoxy-N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512620
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 86868037) is N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is NEEZQMGPWQJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFN5O2/c1-26-15-6-14(24-8-21-22-23-24)12(18)5-10(15)16(25)20-7-9-2-3-11(17)13(19)4-9/h2-6,8H,7H2,1H3,(H,20,25).
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 440.66 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 86868037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).