N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide

C11H12ClN5O3 — CID 137186134

IUPACN-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(Cl)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C11H12ClN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19)
InChIKeyLNVRJNKWTWWVBI-UHFFFAOYSA-N
MW297.70 g/mol
LogP0.57
Rot. Bonds5

About N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide

N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide (PubChem CID 137186134) has the molecular formula C11H12ClN5O3 and a molecular weight of 297.70 g/mol. Its IUPAC name is N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide.

Molecular Properties

Compound NameN-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
PubChem CID137186134
Molecular FormulaC11H12ClN5O3
Molecular Weight297.70 g/mol
Exact Mass297.06
IUPAC NameN-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(Cl)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C11H12ClN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19)
InChIKeyLNVRJNKWTWWVBI-UHFFFAOYSA-N
XLogP0.57
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
CID 136997030
N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide
CID 130318560
4-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]-1H-tetrazol-5-one
CID 144772941
4-[2-(bromomethyl)-3-ethylphenyl]-1H-tetrazol-5-one
CID 163538202
4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one
CID 137255181
4-[3-ethenyl-2-(methoxymethyl)phenyl]-1H-tetrazol-5-one
CID 137142836
4-[3-cyclopropyl-2-[(propan-2-ylideneamino)oxymethyl]phenyl]-1H-tetrazol-5-one
CID 136928848
N-[(2-amino-6-fluorophenyl)methoxy]propanamide
CID 90192871
N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
CID 130318288
N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide
CID 130318251
4-(2-amino-5-chloro-4-ethoxyphenyl)-1H-tetrazol-5-one;formic acid
CID 137256034
N-[[2-ethynyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
CID 118422289

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The IUPAC name of N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide (CID 137186134) is N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide.
What is the SMILES notation for N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The canonical SMILES for N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide is CCC(=O)NOCc1c(Cl)cccc1-n1nn[nH]c1=O.
What is the InChIKey of N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The InChIKey is LNVRJNKWTWWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19).
What are the key properties of N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide has a molecular weight of 297.70 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide is sourced from PubChem (CID 137186134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).