N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide

C17H14F3N3O — CID 48592900

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)C(F)(F)c1ccc(F)cc1
InChIInChI=1S/C17H14F3N3O/c18-12-7-5-11(6-8-12)17(19,20)16(24)21-10-9-15-22-13-3-1-2-4-14(13)23-15/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyVTOPGGMPPPRIEQ-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide (PubChem CID 48592900) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
PubChem CID48592900
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)C(F)(F)c1ccc(F)cc1
InChIInChI=1S/C17H14F3N3O/c18-12-7-5-11(6-8-12)17(19,20)16(24)21-10-9-15-22-13-3-1-2-4-14(13)23-15/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyVTOPGGMPPPRIEQ-UHFFFAOYSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991053
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437898
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea
CID 42935387
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide
CID 59018304
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide (CID 48592900) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide is O=C(NCCc1nc2ccccc2[nH]1)C(F)(F)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide?
The InChIKey is VTOPGGMPPPRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-12-7-5-11(6-8-12)17(19,20)16(24)21-10-9-15-22-13-3-1-2-4-14(13)23-15/h1-8H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide has a molecular weight of 333.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 48592900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).