1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea

C13H10Cl2N4O3 — CID 9438160

IUPAC1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea
SMILESO=C(NNc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N4O3/c14-9-6-5-8(7-10(9)15)17-18-13(20)16-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,16,18,20)
InChIKeyAGHXVOMGWZLGNN-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.05
Rot. Bonds4

About 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea

1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea (PubChem CID 9438160) has the molecular formula C13H10Cl2N4O3 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea
PubChem CID9438160
Molecular FormulaC13H10Cl2N4O3
Molecular Weight341.15 g/mol
Exact Mass340.01
IUPAC Name1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea
SMILESO=C(NNc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N4O3/c14-9-6-5-8(7-10(9)15)17-18-13(20)16-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,16,18,20)
InChIKeyAGHXVOMGWZLGNN-UHFFFAOYSA-N
XLogP4.05
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.05
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-chloroanilino)-3-(3,4-dichlorophenyl)urea
CID 27165302
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
2-chloro-4-(2-nitroanilino)benzoic acid
CID 61399202
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352609
[2-(2-nitroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 40669347
1-(4-chlorophenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea
CID 8618828
1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
CID 108866532
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
3-chloro-4-methyl-N-(2-nitrophenyl)aniline
CID 12710588

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea?
The IUPAC name of 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea (CID 9438160) is 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea is O=C(NNc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea?
The InChIKey is AGHXVOMGWZLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O3/c14-9-6-5-8(7-10(9)15)17-18-13(20)16-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,16,18,20).
What are the key properties of 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea?
1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea has a molecular weight of 341.15 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea is sourced from PubChem (CID 9438160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).