1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea

C11H12N4O4 — CID 47131760

IUPAC1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC1
InChIInChI=1S/C11H12N4O4/c16-10(13-14-11(17)12-8-4-5-8)7-2-1-3-9(6-7)15(18)19/h1-3,6,8H,4-5H2,(H,13,16)(H2,12,14,17)
InChIKeyCTRGJLUTUOSCHF-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.70
Rot. Bonds3

About 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea

1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea (PubChem CID 47131760) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
PubChem CID47131760
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC1
InChIInChI=1S/C11H12N4O4/c16-10(13-14-11(17)12-8-4-5-8)7-2-1-3-9(6-7)15(18)19/h1-3,6,8H,4-5H2,(H,13,16)(H2,12,14,17)
InChIKeyCTRGJLUTUOSCHF-UHFFFAOYSA-N
XLogP0.70
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.70
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'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-(3-nitrobenzoyl)oxolane-3-carbohydrazide
CID 47443157
N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
CID 8763621
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 3548289
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813950

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea (CID 47131760) is 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea is O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea?
The InChIKey is CTRGJLUTUOSCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-10(13-14-11(17)12-8-4-5-8)7-2-1-3-9(6-7)15(18)19/h1-3,6,8H,4-5H2,(H,13,16)(H2,12,14,17).
What are the key properties of 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea?
1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea has a molecular weight of 264.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea is sourced from PubChem (CID 47131760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).