1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea

C15H14ClN3O — CID 10108132

IUPAC1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea
SMILESCN(/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14ClN3O/c1-19(15(20)18-14-5-3-2-4-6-14)17-11-12-7-9-13(16)10-8-12/h2-11H,1H3,(H,18,20)/b17-11+
InChIKeyPRGNUILIISLZMN-GZTJUZNOSA-N
MW287.75 g/mol
LogP3.84
Rot. Bonds3

About 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea

1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea (PubChem CID 10108132) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea
PubChem CID10108132
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea
SMILESCN(/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14ClN3O/c1-19(15(20)18-14-5-3-2-4-6-14)17-11-12-7-9-13(16)10-8-12/h2-11H,1H3,(H,18,20)/b17-11+
InChIKeyPRGNUILIISLZMN-GZTJUZNOSA-N
XLogP3.84
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
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-[(Z)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylthiourea
CID 101014473
N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide
CID 54507813
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide
CID 693562
1-chloro-1-methyl-3-phenylurea
CID 173170547
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
1-[2-(4-bromophenyl)ethyl]-3-(4-chlorophenyl)-1-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 134093000
1-[(E)-(4-chlorophenyl)methylideneamino]-1-(2-cyanoethyl)-3-(4-nitrophenyl)urea
CID 134113074
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea?
The IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea (CID 10108132) is 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea is CN(/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea?
The InChIKey is PRGNUILIISLZMN-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-19(15(20)18-14-5-3-2-4-6-14)17-11-12-7-9-13(16)10-8-12/h2-11H,1H3,(H,18,20)/b17-11+.
What are the key properties of 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea?
1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea has a molecular weight of 287.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea is sourced from PubChem (CID 10108132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).