N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

C20H22ClN5O — CID 59738283

IUPACN-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H22ClN5O/c1-14-8-10-15(11-9-14)18-23-25-26(24-18)13-20(2,3)19(27)22-12-16-6-4-5-7-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,27)
InChIKeyMMICINPYPWXOLB-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.64
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 59738283) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID59738283
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H22ClN5O/c1-14-8-10-15(11-9-14)18-23-25-26(24-18)13-20(2,3)19(27)22-12-16-6-4-5-7-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,27)
InChIKeyMMICINPYPWXOLB-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (CID 59738283) is N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is Cc1ccc(-c2nnn(CC(C)(C)C(=O)NCc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is MMICINPYPWXOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-14-8-10-15(11-9-14)18-23-25-26(24-18)13-20(2,3)19(27)22-12-16-6-4-5-7-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 383.88 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 59738283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).