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

C16H13BrClN5O — CID 9355609

IUPAC(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)n1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13BrClN5O/c1-10(16(24)19-14-7-5-12(17)6-8-14)23-21-15(20-22-23)11-3-2-4-13(18)9-11/h2-10H,1H3,(H,19,24)/t10-/m0/s1
InChIKeyQJBKONDFILJFSO-JTQLQIEISA-N
MW406.67 g/mol
LogP3.96
Rot. Bonds4

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

(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide (PubChem CID 9355609) has the molecular formula C16H13BrClN5O and a molecular weight of 406.67 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
PubChem CID9355609
Molecular FormulaC16H13BrClN5O
Molecular Weight406.67 g/mol
Exact Mass405.00
IUPAC Name(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)n1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13BrClN5O/c1-10(16(24)19-14-7-5-12(17)6-8-14)23-21-15(20-22-23)11-3-2-4-13(18)9-11/h2-10H,1H3,(H,19,24)/t10-/m0/s1
InChIKeyQJBKONDFILJFSO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 42952316
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
(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
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 43024295
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353578
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
CID 40811476
3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
CID 95781242

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide (CID 9355609) is (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Br)cc1)n1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide?
The InChIKey is QJBKONDFILJFSO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13BrClN5O/c1-10(16(24)19-14-7-5-12(17)6-8-14)23-21-15(20-22-23)11-3-2-4-13(18)9-11/h2-10H,1H3,(H,19,24)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide?
(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]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)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 9355609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).