N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C19H18ClN3O3 — CID 30679209

IUPACN-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18ClN3O3/c20-16-5-2-1-4-13(16)12-21-18(25)19(26)22-14-7-9-15(10-8-14)23-11-3-6-17(23)24/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,25)(H,22,26)
InChIKeyBQVBHNQDEGXWEL-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.72
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 30679209) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID30679209
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18ClN3O3/c20-16-5-2-1-4-13(16)12-21-18(25)19(26)22-14-7-9-15(10-8-14)23-11-3-6-17(23)24/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,25)(H,22,26)
InChIKeyBQVBHNQDEGXWEL-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
1-[(2-chlorophenyl)methyl]-2-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111175270
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950957
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100750010
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565
1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 39724992

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 30679209) is N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is BQVBHNQDEGXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-16-5-2-1-4-13(16)12-21-18(25)19(26)22-14-7-9-15(10-8-14)23-11-3-6-17(23)24/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,25)(H,22,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 371.82 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 30679209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).