2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide

C14H18ClN5O2 — CID 99607051

IUPAC2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESCOc1cccc(Cl)c1CC(=O)N(C)C[C@@H](C)c1nn[nH]n1
InChIInChI=1S/C14H18ClN5O2/c1-9(14-16-18-19-17-14)8-20(2)13(21)7-10-11(15)5-4-6-12(10)22-3/h4-6,9H,7-8H2,1-3H3,(H,16,17,18,19)/t9-/m1/s1
InChIKeyPNJGDRIQLJZXJR-SECBINFHSA-N
MW323.78 g/mol
LogP1.67
Rot. Bonds6

About 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide

2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide (PubChem CID 99607051) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
PubChem CID99607051
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESCOc1cccc(Cl)c1CC(=O)N(C)C[C@@H](C)c1nn[nH]n1
InChIInChI=1S/C14H18ClN5O2/c1-9(14-16-18-19-17-14)8-20(2)13(21)7-10-11(15)5-4-6-12(10)22-3/h4-6,9H,7-8H2,1-3H3,(H,16,17,18,19)/t9-/m1/s1
InChIKeyPNJGDRIQLJZXJR-SECBINFHSA-N
XLogP1.67
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide (CID 99607051) is 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide is COc1cccc(Cl)c1CC(=O)N(C)C[C@@H](C)c1nn[nH]n1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The InChIKey is PNJGDRIQLJZXJR-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-9(14-16-18-19-17-14)8-20(2)13(21)7-10-11(15)5-4-6-12(10)22-3/h4-6,9H,7-8H2,1-3H3,(H,16,17,18,19)/t9-/m1/s1.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide?
2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide has a molecular weight of 323.78 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 99607051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).