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

C12H13ClN4O — CID 54991269

IUPAC(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H13ClN4O/c1-8(14)12(18)16-10-4-2-3-9(13)11(10)17-6-5-15-7-17/h2-8H,14H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeySNNNJDDXQWHVOL-MRVPVSSYSA-N
MW264.72 g/mol
LogP1.81
Rot. Bonds3

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

(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide (PubChem CID 54991269) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
PubChem CID54991269
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H13ClN4O/c1-8(14)12(18)16-10-4-2-3-9(13)11(10)17-6-5-15-7-17/h2-8H,14H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeySNNNJDDXQWHVOL-MRVPVSSYSA-N
XLogP1.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
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
4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686312
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide (CID 54991269) is (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide is C[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide?
The InChIKey is SNNNJDDXQWHVOL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8(14)12(18)16-10-4-2-3-9(13)11(10)17-6-5-15-7-17/h2-8H,14H2,1H3,(H,16,18)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide?
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide has a molecular weight of 264.72 g/mol, XLogP of 1.81, 3 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)propanamide is sourced from PubChem (CID 54991269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).