[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea

C10H13ClN4O — CID 168533720

IUPAC[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
SMILESCN(C)c1ccc(C=NNC(N)=O)c(Cl)c1
InChIInChI=1S/C10H13ClN4O/c1-15(2)8-4-3-7(9(11)5-8)6-13-14-10(12)16/h3-6H,1-2H3,(H3,12,14,16)
InChIKeyWHEYUOWRJCWLJB-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.41
Rot. Bonds3

About [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea

[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea (PubChem CID 168533720) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
PubChem CID168533720
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
SMILESCN(C)c1ccc(C=NNC(N)=O)c(Cl)c1
InChIInChI=1S/C10H13ClN4O/c1-15(2)8-4-3-7(9(11)5-8)6-13-14-10(12)16/h3-6H,1-2H3,(H3,12,14,16)
InChIKeyWHEYUOWRJCWLJB-UHFFFAOYSA-N
XLogP1.41
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.41
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

[(4-bromo-2-chlorophenyl)methylideneamino]urea
CID 137318192
N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 2796639
3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
CID 168531233
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
[(3-bromo-4-chloro-2-fluorophenyl)methylideneamino]urea
CID 168533678
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 54603167
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242

Frequently Asked Questions

What is the IUPAC name of [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea?
The IUPAC name of [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea (CID 168533720) is [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea.
What is the SMILES notation for [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea?
The canonical SMILES for [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea is CN(C)c1ccc(C=NNC(N)=O)c(Cl)c1.
What is the InChIKey of [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea?
The InChIKey is WHEYUOWRJCWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-15(2)8-4-3-7(9(11)5-8)6-13-14-10(12)16/h3-6H,1-2H3,(H3,12,14,16).
What are the key properties of [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea?
[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea has a molecular weight of 240.69 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).