(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C19H20ClN3O2 — CID 8967271

IUPAC(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-13(19(25)22-16-5-2-4-14(20)12-16)21-15-7-9-17(10-8-15)23-11-3-6-18(23)24/h2,4-5,7-10,12-13,21H,3,6,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyITBGVMHEGVUPJZ-ZDUSSCGKSA-N
MW357.84 g/mol
LogP3.91
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 8967271) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID8967271
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-13(19(25)22-16-5-2-4-14(20)12-16)21-15-7-9-17(10-8-15)23-11-3-6-18(23)24/h2,4-5,7-10,12-13,21H,3,6,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyITBGVMHEGVUPJZ-ZDUSSCGKSA-N
XLogP3.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248679
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55434399

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 8967271) is (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is ITBGVMHEGVUPJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13(19(25)22-16-5-2-4-14(20)12-16)21-15-7-9-17(10-8-15)23-11-3-6-18(23)24/h2,4-5,7-10,12-13,21H,3,6,11H2,1H3,(H,22,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 357.84 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 8967271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).