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

C20H20ClF2N5O4 — CID 55775072

IUPAC5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCCOc1cc(CN(C)C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)ccc1OC(F)F
InChIInChI=1S/C20H20ClF2N5O4/c1-4-31-18-7-12(5-6-16(18)32-20(22)23)10-27(2)19(29)13-8-14(21)15(9-17(13)30-3)28-11-24-25-26-28/h5-9,11,20H,4,10H2,1-3H3
InChIKeyADJCQMRNPZGNBS-UHFFFAOYSA-N
MW467.86 g/mol
LogP3.60
Rot. Bonds9

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

5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55775072) has the molecular formula C20H20ClF2N5O4 and a molecular weight of 467.86 g/mol. Its IUPAC name is 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55775072
Molecular FormulaC20H20ClF2N5O4
Molecular Weight467.86 g/mol
Exact Mass467.12
IUPAC Name5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCCOc1cc(CN(C)C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)ccc1OC(F)F
InChIInChI=1S/C20H20ClF2N5O4/c1-4-31-18-7-12(5-6-16(18)32-20(22)23)10-27(2)19(29)13-8-14(21)15(9-17(13)30-3)28-11-24-25-26-28/h5-9,11,20H,4,10H2,1-3H3
InChIKeyADJCQMRNPZGNBS-UHFFFAOYSA-N
XLogP3.60
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.86
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775549
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-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55919139
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
[4-(tetrazol-1-yl)phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 29438607
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (CID 55775072) is 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is CCOc1cc(CN(C)C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)ccc1OC(F)F.
What is the InChIKey of 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is ADJCQMRNPZGNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N5O4/c1-4-31-18-7-12(5-6-16(18)32-20(22)23)10-27(2)19(29)13-8-14(21)15(9-17(13)30-3)28-11-24-25-26-28/h5-9,11,20H,4,10H2,1-3H3.
What are the key properties of 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 467.86 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55775072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).