1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea

C15H13ClN4O4 — CID 5201297

IUPAC1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea
SMILESCc1cc(C(=O)NNC(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O4/c1-9-7-10(5-6-13(9)20(23)24)14(21)18-19-15(22)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,18,21)(H2,17,19,22)
InChIKeyUXKFJGGJQRAEBF-UHFFFAOYSA-N
MW348.75 g/mol
LogP3.02
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea

1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea (PubChem CID 5201297) has the molecular formula C15H13ClN4O4 and a molecular weight of 348.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea
PubChem CID5201297
Molecular FormulaC15H13ClN4O4
Molecular Weight348.75 g/mol
Exact Mass348.06
IUPAC Name1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea
SMILESCc1cc(C(=O)NNC(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O4/c1-9-7-10(5-6-13(9)20(23)24)14(21)18-19-15(22)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,18,21)(H2,17,19,22)
InChIKeyUXKFJGGJQRAEBF-UHFFFAOYSA-N
XLogP3.02
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 53.02
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'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 7910668
1-(4-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469143
N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 4811360
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 84577418
N-(3-chlorophenyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682889
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide
CID 8913316
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 6307189
N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 5227167
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea (CID 5201297) is 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea is Cc1cc(C(=O)NNC(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea?
The InChIKey is UXKFJGGJQRAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4/c1-9-7-10(5-6-13(9)20(23)24)14(21)18-19-15(22)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea?
1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea has a molecular weight of 348.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea is sourced from PubChem (CID 5201297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).