N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide

C16H13ClFN3O — CID 25345385

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13ClFN3O/c1-9(15-20-13-4-2-3-5-14(13)21-15)19-16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKeyLLJKMZFSGXRZLM-VIFPVBQESA-N
MW317.75 g/mol
LogP3.85
Rot. Bonds3

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide (PubChem CID 25345385) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
PubChem CID25345385
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13ClFN3O/c1-9(15-20-13-4-2-3-5-14(13)21-15)19-16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKeyLLJKMZFSGXRZLM-VIFPVBQESA-N
XLogP3.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)-2-fluorobenzamide
CID 75387783
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 60592461
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide (CID 25345385) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide is C[C@H](NC(=O)c1ccc(Cl)cc1F)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide?
The InChIKey is LLJKMZFSGXRZLM-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13ClFN3O/c1-9(15-20-13-4-2-3-5-14(13)21-15)19-16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide has a molecular weight of 317.75 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 25345385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).