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

C17H15Cl2N5O2 — CID 87000624

IUPAC5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N5O2/c1-23(9-11-4-3-5-12(18)6-11)17(25)13-7-14(19)15(8-16(13)26-2)24-10-20-21-22-24/h3-8,10H,9H2,1-2H3
InChIKeyHKCGVZYXSRMYRW-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.25
Rot. Bonds5

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

5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 87000624) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID87000624
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N5O2/c1-23(9-11-4-3-5-12(18)6-11)17(25)13-7-14(19)15(8-16(13)26-2)24-10-20-21-22-24/h3-8,10H,9H2,1-2H3
InChIKeyHKCGVZYXSRMYRW-UHFFFAOYSA-N
XLogP3.25
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3-(3-chlorophenoxy)propyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55919139
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
5-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 47872869
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide (CID 87000624) is 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is HKCGVZYXSRMYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-23(9-11-4-3-5-12(18)6-11)17(25)13-7-14(19)15(8-16(13)26-2)24-10-20-21-22-24/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 392.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 87000624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).