1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea

C15H14ClN3O2 — CID 135545371

IUPAC1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea
SMILESCc1c(Cl)cccc1NC(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C15H14ClN3O2/c1-10-13(16)3-2-4-14(10)18-15(21)19-17-9-11-5-7-12(20)8-6-11/h2-9,20H,1H3,(H2,18,19,21)/b17-9-
InChIKeyUUOFGHBCVQGXQJ-MFOYZWKCSA-N
MW303.75 g/mol
LogP3.51
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea

1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea (PubChem CID 135545371) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea
PubChem CID135545371
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea
SMILESCc1c(Cl)cccc1NC(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C15H14ClN3O2/c1-10-13(16)3-2-4-14(10)18-15(21)19-17-9-11-5-7-12(20)8-6-11/h2-9,20H,1H3,(H2,18,19,21)/b17-9-
InChIKeyUUOFGHBCVQGXQJ-MFOYZWKCSA-N
XLogP3.51
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]urea
CID 6479794
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
CID 3686898
N-(3-chloro-2-methylphenyl)-4-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 1194234
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135572064
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6030367
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
1-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822279

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea (CID 135545371) is 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea is Cc1c(Cl)cccc1NC(=O)N/N=C\c1ccc(O)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea?
The InChIKey is UUOFGHBCVQGXQJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-10-13(16)3-2-4-14(10)18-15(21)19-17-9-11-5-7-12(20)8-6-11/h2-9,20H,1H3,(H2,18,19,21)/b17-9-.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea?
1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea has a molecular weight of 303.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135545371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).