5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide

C17H14ClF2N5O2 — CID 55775549

IUPAC5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N5O2/c1-24(8-10-3-4-11(19)5-14(10)20)17(26)12-6-13(18)15(7-16(12)27-2)25-9-21-22-23-25/h3-7,9H,8H2,1-2H3
InChIKeyQJFBTGIBFGDJLW-UHFFFAOYSA-N
MW393.78 g/mol
LogP2.87
Rot. Bonds5

About 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide

5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55775549) has the molecular formula C17H14ClF2N5O2 and a molecular weight of 393.78 g/mol. Its IUPAC name is 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55775549
Molecular FormulaC17H14ClF2N5O2
Molecular Weight393.78 g/mol
Exact Mass393.08
IUPAC Name5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N5O2/c1-24(8-10-3-4-11(19)5-14(10)20)17(26)12-6-13(18)15(7-16(12)27-2)25-9-21-22-23-25/h3-7,9H,8H2,1-2H3
InChIKeyQJFBTGIBFGDJLW-UHFFFAOYSA-N
XLogP2.87
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 47872869
5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775072
5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55919139
N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791493
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (CID 55775549) is 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is QJFBTGIBFGDJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5O2/c1-24(8-10-3-4-11(19)5-14(10)20)17(26)12-6-13(18)15(7-16(12)27-2)25-9-21-22-23-25/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 393.78 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55775549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).