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

C20H22ClN3O3 — CID 24614808

IUPACN-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1=O
InChIInChI=1S/C20H22ClN3O3/c1-13(20(26)23-15-6-3-5-14(21)11-15)22-16-8-9-17(18(12-16)27-2)24-10-4-7-19(24)25/h3,5-6,8-9,11-13,22H,4,7,10H2,1-2H3,(H,23,26)
InChIKeyPWMCZAAMQKCUIL-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.91
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 24614808) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID24614808
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1=O
InChIInChI=1S/C20H22ClN3O3/c1-13(20(26)23-15-6-3-5-14(21)11-15)22-16-8-9-17(18(12-16)27-2)24-10-4-7-19(24)25/h3,5-6,8-9,11-13,22H,4,7,10H2,1-2H3,(H,23,26)
InChIKeyPWMCZAAMQKCUIL-UHFFFAOYSA-N
XLogP3.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
CID 41397283
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 41397393
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55692123
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 24614808) is N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is COc1cc(NC(C)C(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is PWMCZAAMQKCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13(20(26)23-15-6-3-5-14(21)11-15)22-16-8-9-17(18(12-16)27-2)24-10-4-7-19(24)25/h3,5-6,8-9,11-13,22H,4,7,10H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 387.87 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 24614808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).