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

C17H15Cl2N5O — CID 46547369

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)cc2Cl)ccc1-n1cnnn1
InChIInChI=1S/C17H15Cl2N5O/c1-10-7-12(3-6-16(10)24-9-20-22-23-24)17(25)21-11(2)14-5-4-13(18)8-15(14)19/h3-9,11H,1-2H3,(H,21,25)
InChIKeyMXKPMHGYCLOHEO-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.77
Rot. Bonds4

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

N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 46547369) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID46547369
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)cc2Cl)ccc1-n1cnnn1
InChIInChI=1S/C17H15Cl2N5O/c1-10-7-12(3-6-16(10)24-9-20-22-23-24)17(25)21-11(2)14-5-4-13(18)8-15(14)19/h3-9,11H,1-2H3,(H,21,25)
InChIKeyMXKPMHGYCLOHEO-UHFFFAOYSA-N
XLogP3.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616466
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597486
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597487
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 52582743
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
3-cyano-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 4822223

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 46547369) is N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)NC(C)c2ccc(Cl)cc2Cl)ccc1-n1cnnn1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is MXKPMHGYCLOHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-10-7-12(3-6-16(10)24-9-20-22-23-24)17(25)21-11(2)14-5-4-13(18)8-15(14)19/h3-9,11H,1-2H3,(H,21,25).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 376.25 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46547369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).