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

C19H19Cl2N5O3 — CID 55919139

IUPAC5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)CCCOc1cccc(Cl)c1
InChIInChI=1S/C19H19Cl2N5O3/c1-25(7-4-8-29-14-6-3-5-13(20)9-14)19(27)15-10-16(21)17(11-18(15)28-2)26-12-22-23-24-26/h3,5-6,9-12H,4,7-8H2,1-2H3
InChIKeyVLFROVMCWXHQDP-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.52
Rot. Bonds8

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

5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55919139) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55919139
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC Name5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)CCCOc1cccc(Cl)c1
InChIInChI=1S/C19H19Cl2N5O3/c1-25(7-4-8-29-14-6-3-5-13(20)9-14)19(27)15-10-16(21)17(11-18(15)28-2)26-12-22-23-24-26/h3,5-6,9-12H,4,7-8H2,1-2H3
InChIKeyVLFROVMCWXHQDP-UHFFFAOYSA-N
XLogP3.52
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775072
N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
CID 71853795
5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 47872869
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (CID 55919139) is 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)CCCOc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is VLFROVMCWXHQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/c1-25(7-4-8-29-14-6-3-5-13(20)9-14)19(27)15-10-16(21)17(11-18(15)28-2)26-12-22-23-24-26/h3,5-6,9-12H,4,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 436.30 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55919139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).