1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

C19H20N4O4 — CID 38885126

IUPAC1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c24-18-10-5-11-22(18)13-15-7-2-1-6-14(15)12-20-19(25)21-16-8-3-4-9-17(16)23(26)27/h1-4,6-9H,5,10-13H2,(H2,20,21,25)
InChIKeyMDXWNBIDADAVFE-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.04
Rot. Bonds6

About 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 38885126) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
PubChem CID38885126
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c24-18-10-5-11-22(18)13-15-7-2-1-6-14(15)12-20-19(25)21-16-8-3-4-9-17(16)23(26)27/h1-4,6-9H,5,10-13H2,(H2,20,21,25)
InChIKeyMDXWNBIDADAVFE-UHFFFAOYSA-N
XLogP3.04
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
1-[[2-[[5-chloro-2-nitro-4-(trifluoromethyl)anilino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 46405123
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
2-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802483
1-[[2-(methylamino)-3-nitrophenyl]methyl]azocan-2-one
CID 107351752
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (CID 38885126) is 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is O=C(NCc1ccccc1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is MDXWNBIDADAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-18-10-5-11-22(18)13-15-7-2-1-6-14(15)12-20-19(25)21-16-8-3-4-9-17(16)23(26)27/h1-4,6-9H,5,10-13H2,(H2,20,21,25).
What are the key properties of 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 368.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 38885126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).