1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea

C17H16N4O4 — CID 27518401

IUPAC1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
SMILESO=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O4/c22-16(15-10-14(15)11-5-2-1-3-6-11)19-20-17(23)18-12-7-4-8-13(9-12)21(24)25/h1-9,14-15H,10H2,(H,19,22)(H2,18,20,23)/t14-,15-/m1/s1
InChIKeySUZANBUJOIFNPF-HUUCEWRRSA-N
MW340.34 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea

1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea (PubChem CID 27518401) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
PubChem CID27518401
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
SMILESO=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O4/c22-16(15-10-14(15)11-5-2-1-3-6-11)19-20-17(23)18-12-7-4-8-13(9-12)21(24)25/h1-9,14-15H,10H2,(H,19,22)(H2,18,20,23)/t14-,15-/m1/s1
InChIKeySUZANBUJOIFNPF-HUUCEWRRSA-N
XLogP2.55
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
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

1-[[(1R,2S)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-3-(3-nitrophenyl)urea
CID 27521993
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(3-nitrophenyl)cyclopropane-1-carboxamide
CID 96564704
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443
cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide
CID 139349738
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
trans-(1S,2S)-N-(2-chloro-5-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903167
N-[(3-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2828223
1-(2-methoxy-4-nitrophenyl)-3-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]thiourea
CID 40655251
2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide
CID 5073595
(1S,6S)-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 776384
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea?
The IUPAC name of 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea (CID 27518401) is 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea.
What is the SMILES notation for 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea?
The canonical SMILES for 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea is O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea?
The InChIKey is SUZANBUJOIFNPF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-16(15-10-14(15)11-5-2-1-3-6-11)19-20-17(23)18-12-7-4-8-13(9-12)21(24)25/h1-9,14-15H,10H2,(H,19,22)(H2,18,20,23)/t14-,15-/m1/s1.
What are the key properties of 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea?
1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea has a molecular weight of 340.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea is sourced from PubChem (CID 27518401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).