2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide

C17H14ClF2N3O — CID 166427691

IUPAC2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(F)Cl
InChIInChI=1S/C17H14ClF2N3O/c1-9-7-10(3-5-12(9)22-17(24)15(18)20)16-21-13-8-11(19)4-6-14(13)23(16)2/h3-8,15H,1-2H3,(H,22,24)
InChIKeyMTMUOVDGBIKESQ-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.16
Rot. Bonds3

About 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide

2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 166427691) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
PubChem CID166427691
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(F)Cl
InChIInChI=1S/C17H14ClF2N3O/c1-9-7-10(3-5-12(9)22-17(24)15(18)20)16-21-13-8-11(19)4-6-14(13)23(16)2/h3-8,15H,1-2H3,(H,22,24)
InChIKeyMTMUOVDGBIKESQ-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide
CID 120800894
2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800893
N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119890958
(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
CID 119891049
2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 119891017
3-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119890966
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide
CID 119900910
4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 120565984
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
CID 119900909
3-amino-N-[4-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 120504377
N-[2-(4-chlorophenyl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]-N'-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]oxamide;2,2,2-trifluoroacetic acid
CID 167810815
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide (CID 166427691) is 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide is Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide?
The InChIKey is MTMUOVDGBIKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-9-7-10(3-5-12(9)22-17(24)15(18)20)16-21-13-8-11(19)4-6-14(13)23(16)2/h3-8,15H,1-2H3,(H,22,24).
What are the key properties of 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide?
2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 349.77 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 166427691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).