1-benzamido-3-(2-nitrophenyl)urea

C14H12N4O4 — CID 91390180

IUPAC1-benzamido-3-(2-nitrophenyl)urea
SMILESO=C(NNC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4/c19-13(10-6-2-1-3-7-10)16-17-14(20)15-11-8-4-5-9-12(11)18(21)22/h1-9H,(H,16,19)(H2,15,17,20)
InChIKeyPZUPTOGMEHKJEO-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.06
Rot. Bonds3

About 1-benzamido-3-(2-nitrophenyl)urea

1-benzamido-3-(2-nitrophenyl)urea (PubChem CID 91390180) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-benzamido-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-benzamido-3-(2-nitrophenyl)urea
PubChem CID91390180
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name1-benzamido-3-(2-nitrophenyl)urea
SMILESO=C(NNC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4/c19-13(10-6-2-1-3-7-10)16-17-14(20)15-11-8-4-5-9-12(11)18(21)22/h1-9H,(H,16,19)(H2,15,17,20)
InChIKeyPZUPTOGMEHKJEO-UHFFFAOYSA-N
XLogP2.06
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.06
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

N'-(2-nitrophenyl)benzohydrazide
CID 3718054
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
CID 159771520
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
N-[(1S)-2,2,2-tribromo-1-(2-nitroanilino)ethyl]benzamide
CID 98092764
4-bromo-N-[(2-nitrophenyl)carbamothioyl]benzamide
CID 2893880

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(2-nitrophenyl)urea?
The IUPAC name of 1-benzamido-3-(2-nitrophenyl)urea (CID 91390180) is 1-benzamido-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-benzamido-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-benzamido-3-(2-nitrophenyl)urea is O=C(NNC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-benzamido-3-(2-nitrophenyl)urea?
The InChIKey is PZUPTOGMEHKJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-13(10-6-2-1-3-7-10)16-17-14(20)15-11-8-4-5-9-12(11)18(21)22/h1-9H,(H,16,19)(H2,15,17,20).
What are the key properties of 1-benzamido-3-(2-nitrophenyl)urea?
1-benzamido-3-(2-nitrophenyl)urea has a molecular weight of 300.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(2-nitrophenyl)urea is sourced from PubChem (CID 91390180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).