1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea

C16H14ClN5O4 — CID 47717037

IUPAC1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H14ClN5O4/c17-13-9-12(22(25)26)5-6-14(13)20-15(23)19-10-1-3-11(4-2-10)21-8-7-18-16(21)24/h1-6,9H,7-8H2,(H,18,24)(H2,19,20,23)
InChIKeyJFAFLDZLGCYLKG-UHFFFAOYSA-N
MW375.77 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea

1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 47717037) has the molecular formula C16H14ClN5O4 and a molecular weight of 375.77 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID47717037
Molecular FormulaC16H14ClN5O4
Molecular Weight375.77 g/mol
Exact Mass375.07
IUPAC Name1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H14ClN5O4/c17-13-9-12(22(25)26)5-6-14(13)20-15(23)19-10-1-3-11(4-2-10)21-8-7-18-16(21)24/h1-6,9H,7-8H2,(H,18,24)(H2,19,20,23)
InChIKeyJFAFLDZLGCYLKG-UHFFFAOYSA-N
XLogP3.42
TPSA116.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 53.42
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

5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide
CID 55758538
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 8023654
N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 4793201
2-(3,4-dichlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489364
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25357702
1-[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 47054409
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 43709823

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 47717037) is 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea is O=C(Nc1ccc(N2CCNC2=O)cc1)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is JFAFLDZLGCYLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O4/c17-13-9-12(22(25)26)5-6-14(13)20-15(23)19-10-1-3-11(4-2-10)21-8-7-18-16(21)24/h1-6,9H,7-8H2,(H,18,24)(H2,19,20,23).
What are the key properties of 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 375.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 47717037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).