3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

C22H25FN4O2 — CID 31615402

IUPAC3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H25FN4O2/c23-17-7-5-16(6-8-17)20(27-11-13-29-14-12-27)15-24-22(28)10-9-21-25-18-3-1-2-4-19(18)26-21/h1-8,20H,9-15H2,(H,24,28)(H,25,26)/t20-/m0/s1
InChIKeyNAEMVPHSUFILHZ-FQEVSTJZSA-N
MW396.47 g/mol
LogP2.82
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 31615402) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID31615402
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H25FN4O2/c23-17-7-5-16(6-8-17)20(27-11-13-29-14-12-27)15-24-22(28)10-9-21-25-18-3-1-2-4-19(18)26-21/h1-8,20H,9-15H2,(H,24,28)(H,25,26)/t20-/m0/s1
InChIKeyNAEMVPHSUFILHZ-FQEVSTJZSA-N
XLogP2.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide
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N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyphenyl)propanamide
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3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
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3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
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N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
CID 110304177
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
2-(2-fluorophenoxy)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 7833134
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32929347
3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (CID 31615402) is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is O=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is NAEMVPHSUFILHZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-17-7-5-16(6-8-17)20(27-11-13-29-14-12-27)15-24-22(28)10-9-21-25-18-3-1-2-4-19(18)26-21/h1-8,20H,9-15H2,(H,24,28)(H,25,26)/t20-/m0/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 396.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 31615402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).