N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

C17H16ClN5O — CID 7634179

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN5O/c1-22(11-13-7-9-15(18)10-8-13)16(24)12-23-20-17(19-21-23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyFWWDQNDPFXRCRT-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7634179) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7634179
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN5O/c1-22(11-13-7-9-15(18)10-8-13)16(24)12-23-20-17(19-21-23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyFWWDQNDPFXRCRT-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 31129926
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 84603611
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 46981616
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 110003521
N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
CID 7490632
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 78866079
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 7634179) is N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is CN(Cc1ccc(Cl)cc1)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is FWWDQNDPFXRCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-22(11-13-7-9-15(18)10-8-13)16(24)12-23-20-17(19-21-23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7634179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).