1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea

C20H17N3O4 — CID 2956271

IUPAC1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H17N3O4/c24-20(21-16-6-10-18(11-7-16)23(25)26)22-17-8-12-19(13-9-17)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,22,24)
InChIKeyMSNCRQIKLHIXNP-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.82
Rot. Bonds6

About 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea

1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 2956271) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID2956271
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H17N3O4/c24-20(21-16-6-10-18(11-7-16)23(25)26)22-17-8-12-19(13-9-17)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,22,24)
InChIKeyMSNCRQIKLHIXNP-UHFFFAOYSA-N
XLogP4.82
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.82
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

N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51344771
N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]methoxy]phenyl]acetamide
CID 1262392
1-(4-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883092
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 41052245
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea (CID 2956271) is 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea is O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is MSNCRQIKLHIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-20(21-16-6-10-18(11-7-16)23(25)26)22-17-8-12-19(13-9-17)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,22,24).
What are the key properties of 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea?
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 363.37 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 2956271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).