(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide

C16H14ClN5O2 — CID 7705700

IUPAC(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5O2/c1-11(16(23)19-13-5-2-4-12(17)8-13)24-15-7-3-6-14(9-15)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)/t11-/m1/s1
InChIKeyMWCBWVHUAVHUPH-LLVKDONJSA-N
MW343.77 g/mol
LogP2.72
Rot. Bonds5

About (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide

(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 7705700) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID7705700
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5O2/c1-11(16(23)19-13-5-2-4-12(17)8-13)24-15-7-3-6-14(9-15)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)/t11-/m1/s1
InChIKeyMWCBWVHUAVHUPH-LLVKDONJSA-N
XLogP2.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 91204947
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705781
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 2668604
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 25469917
(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 51969626
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 20894851
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide (CID 7705700) is (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide is C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is MWCBWVHUAVHUPH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-11(16(23)19-13-5-2-4-12(17)8-13)24-15-7-3-6-14(9-15)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 343.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 7705700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).