N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide

C16H21ClFN3O2 — CID 124757415

IUPACN-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CCC(=O)N1
InChIInChI=1S/C16H21ClFN3O2/c1-10(2)21(8-12-4-6-15(22)19-12)9-16(23)20-14-5-3-11(17)7-13(14)18/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWIHUMLPYHBSDIG-GFCCVEGCSA-N
MW341.81 g/mol
LogP2.41
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide

N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide (PubChem CID 124757415) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide
PubChem CID124757415
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CCC(=O)N1
InChIInChI=1S/C16H21ClFN3O2/c1-10(2)21(8-12-4-6-15(22)19-12)9-16(23)20-14-5-3-11(17)7-13(14)18/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWIHUMLPYHBSDIG-GFCCVEGCSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide with MolForge

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Related Compounds

2-[butan-2-yl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60834067
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638871
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614400
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
N-(4-chloro-2-fluorophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 9110326
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411275
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-cyclooctylazanium
CID 9444240
N-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46444172

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide (CID 124757415) is N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide is CC(C)N(CC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CCC(=O)N1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide?
The InChIKey is WIHUMLPYHBSDIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-10(2)21(8-12-4-6-15(22)19-12)9-16(23)20-14-5-3-11(17)7-13(14)18/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide has a molecular weight of 341.81 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 124757415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).