N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

C17H15ClFN3O — CID 27161588

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15ClFN3O/c18-12-4-3-5-13(19)11(12)10-17(23)20-9-8-16-21-14-6-1-2-7-15(14)22-16/h1-7H,8-10H2,(H,20,23)(H,21,22)
InChIKeyPYLNFUWRDYLORG-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 27161588) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID27161588
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15ClFN3O/c18-12-4-3-5-13(19)11(12)10-17(23)20-9-8-16-21-14-6-1-2-7-15(14)22-16/h1-7H,8-10H2,(H,20,23)(H,21,22)
InChIKeyPYLNFUWRDYLORG-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
2-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548180
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 43229184
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trifluorophenoxy)acetamide
CID 59018354
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 25390328
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 27161588) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is PYLNFUWRDYLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c18-12-4-3-5-13(19)11(12)10-17(23)20-9-8-16-21-14-6-1-2-7-15(14)22-16/h1-7H,8-10H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 331.78 g/mol, XLogP of 3.26, 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-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 27161588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).