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

C16H13Cl2N5O — CID 29415782

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H13Cl2N5O/c1-22(9-12-3-2-4-14(17)15(12)18)16(24)11-5-7-13(8-6-11)23-10-19-20-21-23/h2-8,10H,9H2,1H3
InChIKeyYEDHUILTBFMJOQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.24
Rot. Bonds4

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

N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 29415782) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID29415782
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H13Cl2N5O/c1-22(9-12-3-2-4-14(17)15(12)18)16(24)11-5-7-13(8-6-11)23-10-19-20-21-23/h2-8,10H,9H2,1H3
InChIKeyYEDHUILTBFMJOQ-UHFFFAOYSA-N
XLogP3.24
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea
CID 55695253
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 31361004
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29465073
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 32544801
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[(2,3-dichlorophenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 27773732

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide (CID 29415782) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is YEDHUILTBFMJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-22(9-12-3-2-4-14(17)15(12)18)16(24)11-5-7-13(8-6-11)23-10-19-20-21-23/h2-8,10H,9H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 362.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29415782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).