1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea

C14H13Cl2N3O — CID 108899226

IUPAC1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
SMILESNc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H13Cl2N3O/c15-10-3-1-9(2-4-10)8-18-14(20)19-11-5-6-13(17)12(16)7-11/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyZETIUOYEVKRBNO-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.90
Rot. Bonds3

About 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea

1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea (PubChem CID 108899226) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
PubChem CID108899226
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
SMILESNc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H13Cl2N3O/c15-10-3-1-9(2-4-10)8-18-14(20)19-11-5-6-13(17)12(16)7-11/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyZETIUOYEVKRBNO-UHFFFAOYSA-N
XLogP3.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867663
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108516187
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-(4-aminophenyl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 62532764
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
CID 5171614
(Z)-3-(4-amino-3-chloroanilino)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839617

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea (CID 108899226) is 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea is Nc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea?
The InChIKey is ZETIUOYEVKRBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-10-3-1-9(2-4-10)8-18-14(20)19-11-5-6-13(17)12(16)7-11/h1-7H,8,17H2,(H2,18,19,20).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea?
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea has a molecular weight of 310.18 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 108899226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).