(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide

C14H17ClN4O — CID 107568364

IUPAC(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C14H17ClN4O/c1-2-4-11(16)14(20)18-12-6-3-5-10(15)13(12)19-8-7-17-9-19/h3,5-9,11H,2,4,16H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyZMGCEAYIAIIMPY-LLVKDONJSA-N
MW292.77 g/mol
LogP2.59
Rot. Bonds5

About (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide

(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide (PubChem CID 107568364) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
PubChem CID107568364
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C14H17ClN4O/c1-2-4-11(16)14(20)18-12-6-3-5-10(15)13(12)19-8-7-17-9-19/h3,5-9,11H,2,4,16H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyZMGCEAYIAIIMPY-LLVKDONJSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 61155309
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
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(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
3-chloro-N-heptan-4-yl-2-imidazol-1-ylaniline
CID 43673648
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
CID 103813583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide (CID 107568364) is (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide is CCC[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide?
The InChIKey is ZMGCEAYIAIIMPY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-4-11(16)14(20)18-12-6-3-5-10(15)13(12)19-8-7-17-9-19/h3,5-9,11H,2,4,16H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide?
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide has a molecular weight of 292.77 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide is sourced from PubChem (CID 107568364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).