N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide

C12H13ClN4O — CID 43699248

IUPACN-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H13ClN4O/c1-14-7-11(18)16-10-4-2-3-9(13)12(10)17-6-5-15-8-17/h2-6,8,14H,7H2,1H3,(H,16,18)
InChIKeyCKMYSBAUWBIJGC-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.68
Rot. Bonds4

About N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide

N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide (PubChem CID 43699248) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
PubChem CID43699248
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H13ClN4O/c1-14-7-11(18)16-10-4-2-3-9(13)12(10)17-6-5-15-8-17/h2-6,8,14H,7H2,1H3,(H,16,18)
InChIKeyCKMYSBAUWBIJGC-UHFFFAOYSA-N
XLogP1.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
CID 60843215
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-imidazol-1-ylphenyl)propanamide
CID 54991269
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
(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
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228
4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686312

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide (CID 43699248) is N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide?
The InChIKey is CKMYSBAUWBIJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-14-7-11(18)16-10-4-2-3-9(13)12(10)17-6-5-15-8-17/h2-6,8,14H,7H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide?
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide has a molecular weight of 264.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 43699248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).