1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea

C15H14ClN3O3 — CID 27869054

IUPAC1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea
SMILESC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O3/c1-10(11-4-2-5-12(16)8-11)17-15(20)18-13-6-3-7-14(9-13)19(21)22/h2-10H,1H3,(H2,17,18,20)/t10-/m1/s1
InChIKeyGIYOCPHZSFSFKX-SNVBAGLBSA-N
MW319.75 g/mol
LogP4.13
Rot. Bonds4

About 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea (PubChem CID 27869054) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea
PubChem CID27869054
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea
SMILESC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O3/c1-10(11-4-2-5-12(16)8-11)17-15(20)18-13-6-3-7-14(9-13)19(21)22/h2-10H,1H3,(H2,17,18,20)/t10-/m1/s1
InChIKeyGIYOCPHZSFSFKX-SNVBAGLBSA-N
XLogP4.13
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.13
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-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2957728
1-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 971988
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 9164655
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
(4-nitrophenyl) N-[(1S)-1-(3-chlorophenyl)ethyl]carbamate
CID 86718082
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-(3-amino-1H-indazol-5-yl)-3-[(1S)-1-(3-nitrophenyl)ethyl]urea
CID 68926240
1-[(2R)-1-methoxypropan-2-yl]-3-(3-nitrophenyl)urea
CID 27870478
1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[1-(3-nitrophenyl)ethyl]urea
CID 86778556

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea (CID 27869054) is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea is C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea?
The InChIKey is GIYOCPHZSFSFKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-10(11-4-2-5-12(16)8-11)17-15(20)18-13-6-3-7-14(9-13)19(21)22/h2-10H,1H3,(H2,17,18,20)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea?
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea has a molecular weight of 319.75 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea is sourced from PubChem (CID 27869054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).