1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

C19H20N4O5 — CID 2957594

IUPAC1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N4O5/c1-28-17-12-15(23(26)27)8-9-16(17)21-19(25)20-14-6-4-13(5-7-14)18(24)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,21,25)
InChIKeyNSGXVJWDMMDVLL-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.48
Rot. Bonds5

About 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 2957594) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID2957594
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N4O5/c1-28-17-12-15(23(26)27)8-9-16(17)21-19(25)20-14-6-4-13(5-7-14)18(24)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,21,25)
InChIKeyNSGXVJWDMMDVLL-UHFFFAOYSA-N
XLogP3.48
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide
CID 19653667
1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 2963634
(2-methoxy-4-nitrophenyl)-piperidin-1-ylmethanone
CID 68540547
3,5-dinitro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 7304298
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
1-(3-fluorobenzoyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17223700
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 2957594) is 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is NSGXVJWDMMDVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-28-17-12-15(23(26)27)8-9-16(17)21-19(25)20-14-6-4-13(5-7-14)18(24)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,21,25).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 384.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 2957594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).