(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide

C16H13BrClN5O — CID 9355658

IUPAC(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H13BrClN5O/c1-10(16(24)19-14-4-2-3-13(18)9-14)23-21-15(20-22-23)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,19,24)/t10-/m0/s1
InChIKeyPJNFVXSENZIQSL-JTQLQIEISA-N
MW406.67 g/mol
LogP3.96
Rot. Bonds4

About (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide

(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide (PubChem CID 9355658) has the molecular formula C16H13BrClN5O and a molecular weight of 406.67 g/mol. Its IUPAC name is (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
PubChem CID9355658
Molecular FormulaC16H13BrClN5O
Molecular Weight406.67 g/mol
Exact Mass405.00
IUPAC Name(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H13BrClN5O/c1-10(16(24)19-14-4-2-3-13(18)9-14)23-21-15(20-22-23)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,19,24)/t10-/m0/s1
InChIKeyPJNFVXSENZIQSL-JTQLQIEISA-N
XLogP3.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609
(2S)-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9354256
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353578
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 42952316
3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
CID 95781242
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide (CID 9355658) is (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide is C[C@@H](C(=O)Nc1cccc(Cl)c1)n1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide?
The InChIKey is PJNFVXSENZIQSL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13BrClN5O/c1-10(16(24)19-14-4-2-3-13(18)9-14)23-21-15(20-22-23)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,19,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide?
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide has a molecular weight of 406.67 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 9355658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).