1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea

C15H14N4O4 — CID 4074557

IUPAC1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H14N4O4/c20-14(10-11-6-8-13(9-7-11)19(22)23)17-18-15(21)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,20)(H2,16,18,21)
InChIKeyBSJGZZKAVGQEHI-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.99
Rot. Bonds4

About 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea

1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea (PubChem CID 4074557) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
PubChem CID4074557
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H14N4O4/c20-14(10-11-6-8-13(9-7-11)19(22)23)17-18-15(21)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,20)(H2,16,18,21)
InChIKeyBSJGZZKAVGQEHI-UHFFFAOYSA-N
XLogP1.99
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
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

1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
CID 968636
2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
(4-nitrophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617131
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
1-[(4-nitrophenyl)methyl]-3-phenylthiourea
CID 135077106
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea?
The IUPAC name of 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea (CID 4074557) is 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea is O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea?
The InChIKey is BSJGZZKAVGQEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c20-14(10-11-6-8-13(9-7-11)19(22)23)17-18-15(21)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,20)(H2,16,18,21).
What are the key properties of 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea?
1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea has a molecular weight of 314.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea is sourced from PubChem (CID 4074557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).