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

C16H15ClN6O — CID 25340645

IUPAC(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
SMILESC[C@@H](Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN6O/c1-11(16(24)20-14-4-2-12(17)3-5-14)19-13-6-8-15(9-7-13)23-10-18-21-22-23/h2-11,19H,1H3,(H,20,24)/t11-/m1/s1
InChIKeyKQOCJBNEVRISOB-LLVKDONJSA-N
MW342.79 g/mol
LogP2.75
Rot. Bonds5

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

(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide (PubChem CID 25340645) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
PubChem CID25340645
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
SMILESC[C@@H](Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN6O/c1-11(16(24)20-14-4-2-12(17)3-5-14)19-13-6-8-15(9-7-13)23-10-18-21-22-23/h2-11,19H,1H3,(H,20,24)/t11-/m1/s1
InChIKeyKQOCJBNEVRISOB-LLVKDONJSA-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

(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 51969626
2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 4881594
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 4804176
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
2,4-dichloro-N-[(2S)-4-methyl-1-oxo-1-[4-(tetrazol-1-yl)anilino]pentan-2-yl]benzamide
CID 51873691
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 20894851
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide (CID 25340645) is (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide is C[C@@H](Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
The InChIKey is KQOCJBNEVRISOB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-11(16(24)20-14-4-2-12(17)3-5-14)19-13-6-8-15(9-7-13)23-10-18-21-22-23/h2-11,19H,1H3,(H,20,24)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide?
(2R)-N-(4-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 (2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide is sourced from PubChem (CID 25340645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).