N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C21H22ClFN4O3 — CID 154857682

IUPACN-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESO=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Cl)c(F)c1N1CCOCC1
InChIInChI=1S/C21H22ClFN4O3/c22-14-5-7-16(20(19(14)23)27-8-10-30-11-9-27)24-18(28)3-1-2-13-4-6-15-17(12-13)26-21(29)25-15/h4-7,12H,1-3,8-11H2,(H,24,28)(H2,25,26,29)
InChIKeyVEXDWGWIJRCOEJ-UHFFFAOYSA-N
MW432.88 g/mol
LogP3.45
Rot. Bonds6

About N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 154857682) has the molecular formula C21H22ClFN4O3 and a molecular weight of 432.88 g/mol. Its IUPAC name is N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID154857682
Molecular FormulaC21H22ClFN4O3
Molecular Weight432.88 g/mol
Exact Mass432.14
IUPAC NameN-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESO=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Cl)c(F)c1N1CCOCC1
InChIInChI=1S/C21H22ClFN4O3/c22-14-5-7-16(20(19(14)23)27-8-10-30-11-9-27)24-18(28)3-1-2-13-4-6-15-17(12-13)26-21(29)25-15/h4-7,12H,1-3,8-11H2,(H,24,28)(H2,25,26,29)
InChIKeyVEXDWGWIJRCOEJ-UHFFFAOYSA-N
XLogP3.45
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 167760177
3-[(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122092989
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
3-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 100746567
N-(2-aminoethyl)-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]benzamide;hydrochloride
CID 120604115
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)cyclopropanesulfonamide
CID 119051771
(2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119370651
N-(3-chloro-2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26309208
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 154857682) is N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Cl)c(F)c1N1CCOCC1.
What is the InChIKey of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is VEXDWGWIJRCOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O3/c22-14-5-7-16(20(19(14)23)27-8-10-30-11-9-27)24-18(28)3-1-2-13-4-6-15-17(12-13)26-21(29)25-15/h4-7,12H,1-3,8-11H2,(H,24,28)(H2,25,26,29).
What are the key properties of N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 432.88 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 154857682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).