(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide

C17H17FN4O2 — CID 37309732

IUPAC(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide
SMILESCC[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2/c1-2-13(16(23)20-11-5-3-10(18)4-6-11)19-12-7-8-14-15(9-12)22-17(24)21-14/h3-9,13,19H,2H2,1H3,(H,20,23)(H2,21,22,24)/t13-/m0/s1
InChIKeyKRWBEYLQDNOERX-ZDUSSCGKSA-N
MW328.35 g/mol
LogP2.82
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide

(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide (PubChem CID 37309732) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide
PubChem CID37309732
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide
SMILESCC[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2/c1-2-13(16(23)20-11-5-3-10(18)4-6-11)19-12-7-8-14-15(9-12)22-17(24)21-14/h3-9,13,19H,2H2,1H3,(H,20,23)(H2,21,22,24)/t13-/m0/s1
InChIKeyKRWBEYLQDNOERX-ZDUSSCGKSA-N
XLogP2.82
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanoate
CID 99636827
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26700139
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one
CID 115994190
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 112798454
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(3-fluorophenyl)acetate
CID 8560156
3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 18160949
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9431483

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide (CID 37309732) is (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide is CC[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide?
The InChIKey is KRWBEYLQDNOERX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-2-13(16(23)20-11-5-3-10(18)4-6-11)19-12-7-8-14-15(9-12)22-17(24)21-14/h3-9,13,19H,2H2,1H3,(H,20,23)(H2,21,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide?
(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide has a molecular weight of 328.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide is sourced from PubChem (CID 37309732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).