N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C21H24ClN3O2 — CID 42935089

IUPACN-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1cc(NC(C)C(=O)Nc2cccc(Cl)c2C)ccc1N1CCCC1=O
InChIInChI=1S/C21H24ClN3O2/c1-13-12-16(9-10-19(13)25-11-5-8-20(25)26)23-15(3)21(27)24-18-7-4-6-17(22)14(18)2/h4,6-7,9-10,12,15,23H,5,8,11H2,1-3H3,(H,24,27)
InChIKeyITSAYABFIFDHHG-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.52
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide

N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 42935089) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID42935089
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1cc(NC(C)C(=O)Nc2cccc(Cl)c2C)ccc1N1CCCC1=O
InChIInChI=1S/C21H24ClN3O2/c1-13-12-16(9-10-19(13)25-11-5-8-20(25)26)23-15(3)21(27)24-18-7-4-6-17(22)14(18)2/h4,6-7,9-10,12,15,23H,5,8,11H2,1-3H3,(H,24,27)
InChIKeyITSAYABFIFDHHG-UHFFFAOYSA-N
XLogP4.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935087
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
CID 34281309
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
CID 32508323
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242254
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25341128
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 42935089) is N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is Cc1cc(NC(C)C(=O)Nc2cccc(Cl)c2C)ccc1N1CCCC1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is ITSAYABFIFDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-13-12-16(9-10-19(13)25-11-5-8-20(25)26)23-15(3)21(27)24-18-7-4-6-17(22)14(18)2/h4,6-7,9-10,12,15,23H,5,8,11H2,1-3H3,(H,24,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 385.90 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 42935089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).