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

C15H14ClN3O — CID 5420635

IUPAC1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/c1-11-4-2-3-5-14(11)18-15(20)19-17-10-12-6-8-13(16)9-7-12/h2-10H,1H3,(H2,18,19,20)/b17-10-
InChIKeyNINULBRYIIICHF-YVLHZVERSA-N
MW287.75 g/mol
LogP3.80
Rot. Bonds3

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

1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 5420635) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
PubChem CID5420635
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/c1-11-4-2-3-5-14(11)18-15(20)19-17-10-12-6-8-13(16)9-7-12/h2-10H,1H3,(H2,18,19,20)/b17-10-
InChIKeyNINULBRYIIICHF-YVLHZVERSA-N
XLogP3.80
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
1-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822279
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4244827
1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6065465
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
1-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5233343
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822085
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
CID 926788
1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926783

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea (CID 5420635) is 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is NINULBRYIIICHF-YVLHZVERSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-11-4-2-3-5-14(11)18-15(20)19-17-10-12-6-8-13(16)9-7-12/h2-10H,1H3,(H2,18,19,20)/b17-10-.
What are the key properties of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 287.75 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 5420635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).