(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C16H14FN3O3 — CID 26700139

IUPAC(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O3/c1-9(23-12-5-2-10(17)3-6-12)15(21)18-11-4-7-13-14(8-11)20-16(22)19-13/h2-9H,1H3,(H,18,21)(H2,19,20,22)/t9-/m1/s1
InChIKeyDTCOJLNTSXDNFJ-SECBINFHSA-N
MW315.30 g/mol
LogP2.40
Rot. Bonds4

About (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 26700139) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID26700139
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O3/c1-9(23-12-5-2-10(17)3-6-12)15(21)18-11-4-7-13-14(8-11)20-16(22)19-13/h2-9H,1H3,(H,18,21)(H2,19,20,22)/t9-/m1/s1
InChIKeyDTCOJLNTSXDNFJ-SECBINFHSA-N
XLogP2.40
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78769979
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
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N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 43081016
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 26700139) is (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is DTCOJLNTSXDNFJ-SECBINFHSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-9(23-12-5-2-10(17)3-6-12)15(21)18-11-4-7-13-14(8-11)20-16(22)19-13/h2-9H,1H3,(H,18,21)(H2,19,20,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 315.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 26700139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).