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

C22H20ClN3O2 — CID 110532874

IUPAC1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O2/c1-16-7-5-6-10-20(16)25-22(27)26-24-14-18-11-12-21(19(23)13-18)28-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H2,25,26,27)/b24-14-
InChIKeyVEGOKUDICCAJIO-OYKKKHCWSA-N
MW393.87 g/mol
LogP5.38
Rot. Bonds6

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

1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 110532874) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
PubChem CID110532874
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O2/c1-16-7-5-6-10-20(16)25-22(27)26-24-14-18-11-12-21(19(23)13-18)28-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H2,25,26,27)/b24-14-
InChIKeyVEGOKUDICCAJIO-OYKKKHCWSA-N
XLogP5.38
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5233343
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
1-[[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5234389
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
1-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5092049
1-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822279
2-[2,6-dichloro-4-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetic acid
CID 3953279
1-[[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3636261
1-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3899116
1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3407013
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea (CID 110532874) is 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is VEGOKUDICCAJIO-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-16-7-5-6-10-20(16)25-22(27)26-24-14-18-11-12-21(19(23)13-18)28-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H2,25,26,27)/b24-14-.
What are the key properties of 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 393.87 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 110532874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).