4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide

C20H22ClN3O3 — CID 119756019

IUPAC4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H22ClN3O3/c1-12(13-5-3-6-14(9-13)24-8-4-7-19(24)25)23-20(26)15-10-16(21)17(22)11-18(15)27-2/h3,5-6,9-12H,4,7-8,22H2,1-2H3,(H,23,26)
InChIKeyPEMIYAMSWORRDW-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.55
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide

4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide (PubChem CID 119756019) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide
PubChem CID119756019
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H22ClN3O3/c1-12(13-5-3-6-14(9-13)24-8-4-7-19(24)25)23-20(26)15-10-16(21)17(22)11-18(15)27-2/h3,5-6,9-12H,4,7-8,22H2,1-2H3,(H,23,26)
InChIKeyPEMIYAMSWORRDW-UHFFFAOYSA-N
XLogP3.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 119724540
2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 60590019
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 126798109
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide (CID 119756019) is 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NC(C)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is PEMIYAMSWORRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-12(13-5-3-6-14(9-13)24-8-4-7-19(24)25)23-20(26)15-10-16(21)17(22)11-18(15)27-2/h3,5-6,9-12H,4,7-8,22H2,1-2H3,(H,23,26).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 387.87 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 119756019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).