N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide

C16H20ClFN4O — CID 50972399

IUPACN-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide
SMILESCC(C)C(Cn1ccnc1)NCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H20ClFN4O/c1-11(2)15(9-22-6-5-19-10-22)20-8-16(23)21-14-4-3-12(17)7-13(14)18/h3-7,10-11,15,20H,8-9H2,1-2H3,(H,21,23)
InChIKeyWQNILKVCFAUEKI-UHFFFAOYSA-N
MW338.81 g/mol
LogP2.93
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide

N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide (PubChem CID 50972399) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide
PubChem CID50972399
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide
SMILESCC(C)C(Cn1ccnc1)NCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H20ClFN4O/c1-11(2)15(9-22-6-5-19-10-22)20-8-16(23)21-14-4-3-12(17)7-13(14)18/h3-7,10-11,15,20H,8-9H2,1-2H3,(H,21,23)
InChIKeyWQNILKVCFAUEKI-UHFFFAOYSA-N
XLogP2.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782627
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
CID 46340029
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79727326
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide
CID 50958616
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638871
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide
CID 60803296
2-amino-3-fluoro-6-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 83214859

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide (CID 50972399) is N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide is CC(C)C(Cn1ccnc1)NCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide?
The InChIKey is WQNILKVCFAUEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O/c1-11(2)15(9-22-6-5-19-10-22)20-8-16(23)21-14-4-3-12(17)7-13(14)18/h3-7,10-11,15,20H,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide has a molecular weight of 338.81 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 50972399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).