(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide

C17H16ClN5O — CID 9353578

IUPAC(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccccc1-c1nnn([C@@H](C)C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C17H16ClN5O/c1-11-6-3-4-9-15(11)16-20-22-23(21-16)12(2)17(24)19-14-8-5-7-13(18)10-14/h3-10,12H,1-2H3,(H,19,24)/t12-/m0/s1
InChIKeyPYZKOTXLURFELE-LBPRGKRZSA-N
MW341.80 g/mol
LogP3.50
Rot. Bonds4

About (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide

(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 9353578) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID9353578
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccccc1-c1nnn([C@@H](C)C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C17H16ClN5O/c1-11-6-3-4-9-15(11)16-20-22-23(21-16)12(2)17(24)19-14-8-5-7-13(18)10-14/h3-10,12H,1-2H3,(H,19,24)/t12-/m0/s1
InChIKeyPYZKOTXLURFELE-LBPRGKRZSA-N
XLogP3.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9354256
(2S)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353587
(2R)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353588
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609
(2S)-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(3-cyanophenyl)propanamide
CID 9354269
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
N-(3-chlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524441
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 42952316
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
CID 95781242

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide (CID 9353578) is (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide is Cc1ccccc1-c1nnn([C@@H](C)C(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is PYZKOTXLURFELE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-6-3-4-9-15(11)16-20-22-23(21-16)12(2)17(24)19-14-8-5-7-13(18)10-14/h3-10,12H,1-2H3,(H,19,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide?
(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 341.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 9353578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).