4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide

C16H13Cl2N7O2 — CID 38983810

IUPAC4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide
SMILESC[C@H](C(=O)Nc1ncc(Cl)cc1Cl)n1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C16H13Cl2N7O2/c1-8(16(27)21-15-12(18)6-11(17)7-20-15)25-23-14(22-24-25)10-4-2-9(3-5-10)13(19)26/h2-8H,1H3,(H2,19,26)(H,20,21,27)/t8-/m1/s1
InChIKeyIMLJDUMFPLGHML-MRVPVSSYSA-N
MW406.23 g/mol
LogP2.34
Rot. Bonds5

About 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide

4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide (PubChem CID 38983810) has the molecular formula C16H13Cl2N7O2 and a molecular weight of 406.23 g/mol. Its IUPAC name is 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide
PubChem CID38983810
Molecular FormulaC16H13Cl2N7O2
Molecular Weight406.23 g/mol
Exact Mass405.05
IUPAC Name4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide
SMILESC[C@H](C(=O)Nc1ncc(Cl)cc1Cl)n1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C16H13Cl2N7O2/c1-8(16(27)21-15-12(18)6-11(17)7-20-15)25-23-14(22-24-25)10-4-2-9(3-5-10)13(19)26/h2-8H,1H3,(H2,19,26)(H,20,21,27)/t8-/m1/s1
InChIKeyIMLJDUMFPLGHML-MRVPVSSYSA-N
XLogP2.34
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide with MolForge

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Related Compounds

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 42952316
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814807
(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353578
(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide (CID 38983810) is 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide is C[C@H](C(=O)Nc1ncc(Cl)cc1Cl)n1nnc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide?
The InChIKey is IMLJDUMFPLGHML-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H13Cl2N7O2/c1-8(16(27)21-15-12(18)6-11(17)7-20-15)25-23-14(22-24-25)10-4-2-9(3-5-10)13(19)26/h2-8H,1H3,(H2,19,26)(H,20,21,27)/t8-/m1/s1.
What are the key properties of 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide?
4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide has a molecular weight of 406.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 38983810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).