1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea

C19H17N5O5 — CID 17269758

IUPAC1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C19H17N5O5/c1-29-17-12-13(24(27)28)8-9-15(17)20-19(26)22-21-18(25)14-6-2-3-7-16(14)23-10-4-5-11-23/h2-12H,1H3,(H,21,25)(H2,20,22,26)
InChIKeyYZTJBQNJSFYLAL-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea

1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea (PubChem CID 17269758) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea
PubChem CID17269758
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C19H17N5O5/c1-29-17-12-13(24(27)28)8-9-15(17)20-19(26)22-21-18(25)14-6-2-3-7-16(14)23-10-4-5-11-23/h2-12H,1H3,(H,21,25)(H2,20,22,26)
InChIKeyYZTJBQNJSFYLAL-UHFFFAOYSA-N
XLogP2.86
TPSA127.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-bromo-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
CID 2897203
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
1-(2-methoxy-4-nitrophenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 3836810
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
2-[(2-methoxyphenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16776347
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
N-(2-methoxy-4-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597943
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
5-bromo-2-methoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
CID 2898800

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea (CID 17269758) is 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea is COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea?
The InChIKey is YZTJBQNJSFYLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-29-17-12-13(24(27)28)8-9-15(17)20-19(26)22-21-18(25)14-6-2-3-7-16(14)23-10-4-5-11-23/h2-12H,1H3,(H,21,25)(H2,20,22,26).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea?
1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea has a molecular weight of 395.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]urea is sourced from PubChem (CID 17269758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).