1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea

C15H13Cl2N3O3 — CID 108901382

IUPAC1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H13Cl2N3O3/c16-11-3-1-2-10(8-11)6-7-18-15(21)19-14-9-12(20(22)23)4-5-13(14)17/h1-5,8-9H,6-7H2,(H2,18,19,21)
InChIKeyNGXJAKPMRHPINC-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.27
Rot. Bonds5

About 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea

1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea (PubChem CID 108901382) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea
PubChem CID108901382
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H13Cl2N3O3/c16-11-3-1-2-10(8-11)6-7-18-15(21)19-14-9-12(20(22)23)4-5-13(14)17/h1-5,8-9H,6-7H2,(H2,18,19,21)
InChIKeyNGXJAKPMRHPINC-UHFFFAOYSA-N
XLogP4.27
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108886240
1-(2-chloro-5-nitrophenyl)-3-[3-(2,6-dimethylphenoxy)propyl]urea
CID 108881637
tert-butyl N-[2-[(2-chloro-5-nitrophenyl)carbamoylamino]ethyl]carbamate
CID 108864398
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
1-(2-chloro-5-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655175
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
N-[1-[2-(3-chlorophenyl)ethylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 78792128
1-(2-chloro-5-nitrophenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889411
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 9339051
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 19237296
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
CID 148638353

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea (CID 108901382) is 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea is O=C(NCCc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea?
The InChIKey is NGXJAKPMRHPINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c16-11-3-1-2-10(8-11)6-7-18-15(21)19-14-9-12(20(22)23)4-5-13(14)17/h1-5,8-9H,6-7H2,(H2,18,19,21).
What are the key properties of 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea?
1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea has a molecular weight of 354.19 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea is sourced from PubChem (CID 108901382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).