1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea

C19H14ClN3O3 — CID 16760870

IUPAC1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H14ClN3O3/c20-15-2-1-3-17(12-15)22-19(24)21-16-8-4-13(5-9-16)14-6-10-18(11-7-14)23(25)26/h1-12H,(H2,21,22,24)
InChIKeyUCFUGXJWHFZSQD-UHFFFAOYSA-N
MW367.79 g/mol
LogP5.56
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea

1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea (PubChem CID 16760870) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
PubChem CID16760870
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H14ClN3O3/c20-15-2-1-3-17(12-15)22-19(24)21-16-8-4-13(5-9-16)14-6-10-18(11-7-14)23(25)26/h1-12H,(H2,21,22,24)
InChIKeyUCFUGXJWHFZSQD-UHFFFAOYSA-N
XLogP5.56
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.79
LogP ≤ 55.56
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-(3-chlorophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 4078223
1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
CID 19187569
2-[(3-chlorophenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16778187
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea
CID 108906521
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
CID 168763640
CID 168763640
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea (CID 16760870) is 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea is O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea?
The InChIKey is UCFUGXJWHFZSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-15-2-1-3-17(12-15)22-19(24)21-16-8-4-13(5-9-16)14-6-10-18(11-7-14)23(25)26/h1-12H,(H2,21,22,24).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea?
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea has a molecular weight of 367.79 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea is sourced from PubChem (CID 16760870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).