N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide

C20H21Cl2N5O3 — CID 18354454

IUPACN-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N5O3/c1-26(11-14(7-8-28)13-3-5-17(21)18(22)9-13)20(29)16-10-15(4-6-19(16)30-2)27-12-23-24-25-27/h3-6,9-10,12,14,28H,7-8,11H2,1-2H3
InChIKeyUYDXFRMOGKBFTR-UHFFFAOYSA-N
MW450.33 g/mol
LogP3.22
Rot. Bonds8

About N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide

N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide (PubChem CID 18354454) has the molecular formula C20H21Cl2N5O3 and a molecular weight of 450.33 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
PubChem CID18354454
Molecular FormulaC20H21Cl2N5O3
Molecular Weight450.33 g/mol
Exact Mass449.10
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N5O3/c1-26(11-14(7-8-28)13-3-5-17(21)18(22)9-13)20(29)16-10-15(4-6-19(16)30-2)27-12-23-24-25-27/h3-6,9-10,12,14,28H,7-8,11H2,1-2H3
InChIKeyUYDXFRMOGKBFTR-UHFFFAOYSA-N
XLogP3.22
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[4-(2,2-dihydroxyethyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]butyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
CID 59973384
2-methoxy-N-methyl-N-[(2S)-4-oxo-2-phenylbutyl]-5-(tetrazol-1-yl)benzamide
CID 21311278
N-[2-(3,4-dichlorophenyl)-4-[4-(4-ethylpiperazine-1-carbonyl)-4-pyridin-3-ylpiperidin-1-yl]butyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
CID 20703639
N-[4-[4-(1-but-2-enylbenzimidazol-2-yl)-1,4-diazepan-1-yl]-2-(3,4-dichlorophenyl)butyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide
CID 54372080
N-[2-(4-fluorophenyl)-4-methylsulfonylbutyl]-2-methoxy-5-(tetrazol-1-yl)benzamide
CID 67588701
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
N-[2-(3,4-dimethylphenyl)-4-hydroxybutyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18354463
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2R)-4-[4-(1H-benzimidazole-2-carbonyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-2-methoxy-N-methyl-5-(trifluoromethoxy)benzamide
CID 162576901

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide (CID 18354454) is N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide is COc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide?
The InChIKey is UYDXFRMOGKBFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O3/c1-26(11-14(7-8-28)13-3-5-17(21)18(22)9-13)20(29)16-10-15(4-6-19(16)30-2)27-12-23-24-25-27/h3-6,9-10,12,14,28H,7-8,11H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide?
N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide has a molecular weight of 450.33 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methyl-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 18354454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).