1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea

C10H10ClN3O3 — CID 47196003

IUPAC1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC1
InChIInChI=1S/C10H10ClN3O3/c11-8-5-7(14(16)17)3-4-9(8)13-10(15)12-6-1-2-6/h3-6H,1-2H2,(H2,12,13,15)
InChIKeyYRVQPNQUHQCVIY-UHFFFAOYSA-N
MW255.66 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea

1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea (PubChem CID 47196003) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
PubChem CID47196003
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC1
InChIInChI=1S/C10H10ClN3O3/c11-8-5-7(14(16)17)3-4-9(8)13-10(15)12-6-1-2-6/h3-6H,1-2H2,(H2,12,13,15)
InChIKeyYRVQPNQUHQCVIY-UHFFFAOYSA-N
XLogP2.53
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.53
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-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
1-(2-chloro-4-nitrophenyl)-3-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 111434456
trans-(1S,2S)-2-[(2-chloro-4-nitrophenyl)carbamoylamino]cycloheptane-1-carboxamide
CID 96540285
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea (CID 47196003) is 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC1.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea?
The InChIKey is YRVQPNQUHQCVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-8-5-7(14(16)17)3-4-9(8)13-10(15)12-6-1-2-6/h3-6H,1-2H2,(H2,12,13,15).
What are the key properties of 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea?
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea has a molecular weight of 255.66 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea is sourced from PubChem (CID 47196003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).