3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide

C16H14ClN5O3 — CID 166221886

IUPAC3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)Nc1ccc(-n2nn[nH]c2=O)cc1
InChIInChI=1S/C16H14ClN5O3/c17-11-2-1-3-14(10-11)25-9-8-15(23)18-12-4-6-13(7-5-12)22-16(24)19-20-21-22/h1-7,10H,8-9H2,(H,18,23)(H,19,21,24)
InChIKeyNHGUSXOJZZGIKD-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.02
Rot. Bonds6

About 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide

3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide (PubChem CID 166221886) has the molecular formula C16H14ClN5O3 and a molecular weight of 359.77 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide
PubChem CID166221886
Molecular FormulaC16H14ClN5O3
Molecular Weight359.77 g/mol
Exact Mass359.08
IUPAC Name3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)Nc1ccc(-n2nn[nH]c2=O)cc1
InChIInChI=1S/C16H14ClN5O3/c17-11-2-1-3-14(10-11)25-9-8-15(23)18-12-4-6-13(7-5-12)22-16(24)19-20-21-22/h1-7,10H,8-9H2,(H,18,23)(H,19,21,24)
InChIKeyNHGUSXOJZZGIKD-UHFFFAOYSA-N
XLogP2.02
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
CID 55881604
methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781822
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
CID 55961363
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
3-[2-(3-chlorophenoxy)ethylsulfanyl]-N-phenylpropanamide
CID 46575235
3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 55766234
2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805438
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
4-[3-(3-chlorophenoxy)propanoyl]piperazine-2,6-dione
CID 66083524

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide (CID 166221886) is 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide is O=C(CCOc1cccc(Cl)c1)Nc1ccc(-n2nn[nH]c2=O)cc1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide?
The InChIKey is NHGUSXOJZZGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3/c17-11-2-1-3-14(10-11)25-9-8-15(23)18-12-4-6-13(7-5-12)22-16(24)19-20-21-22/h1-7,10H,8-9H2,(H,18,23)(H,19,21,24).
What are the key properties of 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide?
3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide has a molecular weight of 359.77 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 166221886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).