N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide

C20H22ClN5O2 — CID 59738300

IUPACN-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(Cn1nnc(-c2ccc(CO)cc2)n1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H22ClN5O2/c1-20(2,19(28)22-11-16-5-3-4-6-17(16)21)13-26-24-18(23-25-26)15-9-7-14(12-27)8-10-15/h3-10,27H,11-13H2,1-2H3,(H,22,28)
InChIKeyORVZTRRNKIFUDE-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.83
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide

N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 59738300) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide
PubChem CID59738300
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(Cn1nnc(-c2ccc(CO)cc2)n1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H22ClN5O2/c1-20(2,19(28)22-11-16-5-3-4-6-17(16)21)13-26-24-18(23-25-26)15-9-7-14(12-27)8-10-15/h3-10,27H,11-13H2,1-2H3,(H,22,28)
InChIKeyORVZTRRNKIFUDE-UHFFFAOYSA-N
XLogP2.83
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 59738283
N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 59738311
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanamide
CID 59778496
methyl 2-(2-chlorophenyl)-2-[[2,2-dimethyl-3-[5-(4-propylphenyl)tetrazol-2-yl]propanoyl]amino]acetate
CID 66999510
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
(E)-N-[(2-chlorophenyl)methyl]-3-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-2-methylprop-2-enamide
CID 70670462
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
CID 655576
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
[4-(2-propan-2-yltetrazol-5-yl)phenyl]methanol
CID 84786119

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide (CID 59738300) is N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide is CC(C)(Cn1nnc(-c2ccc(CO)cc2)n1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ORVZTRRNKIFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-20(2,19(28)22-11-16-5-3-4-6-17(16)21)13-26-24-18(23-25-26)15-9-7-14(12-27)8-10-15/h3-10,27H,11-13H2,1-2H3,(H,22,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide?
N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 399.88 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59738300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).