1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea

C14H11ClN4O4 — CID 4850582

IUPAC1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN4O4/c15-11-3-1-2-4-12(11)16-14(21)18-17-13(20)9-5-7-10(8-6-9)19(22)23/h1-8H,(H,17,20)(H2,16,18,21)
InChIKeyMZZZMAXDMXSGOR-UHFFFAOYSA-N
MW334.72 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea

1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea (PubChem CID 4850582) has the molecular formula C14H11ClN4O4 and a molecular weight of 334.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
PubChem CID4850582
Molecular FormulaC14H11ClN4O4
Molecular Weight334.72 g/mol
Exact Mass334.05
IUPAC Name1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN4O4/c15-11-3-1-2-4-12(11)16-14(21)18-17-13(20)9-5-7-10(8-6-9)19(22)23/h1-8H,(H,17,20)(H2,16,18,21)
InChIKeyMZZZMAXDMXSGOR-UHFFFAOYSA-N
XLogP2.71
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 52.71
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-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 932726
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 688188
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
1-(2-chlorophenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea
CID 18431132
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
N-[2-(bromomethyl)phenyl]-4-nitrobenzamide
CID 114309682
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea (CID 4850582) is 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea is O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea?
The InChIKey is MZZZMAXDMXSGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4/c15-11-3-1-2-4-12(11)16-14(21)18-17-13(20)9-5-7-10(8-6-9)19(22)23/h1-8H,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea?
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea has a molecular weight of 334.72 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea is sourced from PubChem (CID 4850582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).