1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea

C14H12ClN3O4 — CID 108866532

IUPAC1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O4/c1-22-13-5-3-2-4-11(13)17-14(19)16-9-6-7-10(15)12(8-9)18(20)21/h2-8H,1H3,(H2,16,17,19)
InChIKeyQPWQWABMZPLAGG-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea

1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea (PubChem CID 108866532) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
PubChem CID108866532
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O4/c1-22-13-5-3-2-4-11(13)17-14(19)16-9-6-7-10(15)12(8-9)18(20)21/h2-8H,1H3,(H2,16,17,19)
InChIKeyQPWQWABMZPLAGG-UHFFFAOYSA-N
XLogP3.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.90
H-Bond Donors ≤ 52
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

[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 40661980
1-(4-chloro-3-nitrophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893257
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 2963634
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitroaniline
CID 43425474
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
CID 168763596
CID 168763596
1-(4,5-dimethoxy-2-nitrophenyl)-3-phenylurea
CID 110446745
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
4-chloro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-nitrobenzamide
CID 3330979

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea (CID 108866532) is 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is QPWQWABMZPLAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-22-13-5-3-2-4-11(13)17-14(19)16-9-6-7-10(15)12(8-9)18(20)21/h2-8H,1H3,(H2,16,17,19).
What are the key properties of 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea?
1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 321.72 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 108866532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).