(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide

C16H15ClN6O — CID 51969626

IUPAC(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
SMILESC[C@H](Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN6O/c1-11(16(24)20-14-4-2-3-12(17)9-14)19-13-5-7-15(8-6-13)23-10-18-21-22-23/h2-11,19H,1H3,(H,20,24)/t11-/m0/s1
InChIKeyDVYXTOFEOMJBNG-NSHDSACASA-N
MW342.79 g/mol
LogP2.75
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide

(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide (PubChem CID 51969626) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
PubChem CID51969626
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
SMILESC[C@H](Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN6O/c1-11(16(24)20-14-4-2-3-12(17)9-14)19-13-5-7-15(8-6-13)23-10-18-21-22-23/h2-11,19H,1H3,(H,20,24)/t11-/m0/s1
InChIKeyDVYXTOFEOMJBNG-NSHDSACASA-N
XLogP2.75
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 25340645
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 2668604
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 4804176
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601
2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 4881594
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide (CID 51969626) is (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide is C[C@H](Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
The InChIKey is DVYXTOFEOMJBNG-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-11(16(24)20-14-4-2-3-12(17)9-14)19-13-5-7-15(8-6-13)23-10-18-21-22-23/h2-11,19H,1H3,(H,20,24)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide has a molecular weight of 342.79 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide is sourced from PubChem (CID 51969626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).