1-amino-1-[2-(4-chlorophenyl)ethyl]urea

C9H12ClN3O — CID 66954070

IUPAC1-amino-1-[2-(4-chlorophenyl)ethyl]urea
SMILESNC(=O)N(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O/c10-8-3-1-7(2-4-8)5-6-13(12)9(11)14/h1-4H,5-6,12H2,(H2,11,14)
InChIKeyUADLOQKMOKZECK-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.14
Rot. Bonds3

About 1-amino-1-[2-(4-chlorophenyl)ethyl]urea

1-amino-1-[2-(4-chlorophenyl)ethyl]urea (PubChem CID 66954070) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-amino-1-[2-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-amino-1-[2-(4-chlorophenyl)ethyl]urea
PubChem CID66954070
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-amino-1-[2-(4-chlorophenyl)ethyl]urea
SMILESNC(=O)N(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O/c10-8-3-1-7(2-4-8)5-6-13(12)9(11)14/h1-4H,5-6,12H2,(H2,11,14)
InChIKeyUADLOQKMOKZECK-UHFFFAOYSA-N
XLogP1.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)ethyl carbamate
CID 90103604
1-amino-1-(4-phenylbutyl)urea
CID 170908979
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656
(Z)-2,3-diamino-3-[amino-[(4-chlorophenyl)methyl]amino]prop-2-enoic acid
CID 144730892
1,1-bis[2-(4-aminophenyl)ethyl]urea
CID 141311384
1-amino-4-(4-chlorophenyl)butan-2-one
CID 59029546
4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide
CID 133471121
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
CID 67225206

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-amino-1-[2-(4-chlorophenyl)ethyl]urea (CID 66954070) is 1-amino-1-[2-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-amino-1-[2-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-amino-1-[2-(4-chlorophenyl)ethyl]urea is NC(=O)N(N)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-amino-1-[2-(4-chlorophenyl)ethyl]urea?
The InChIKey is UADLOQKMOKZECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-3-1-7(2-4-8)5-6-13(12)9(11)14/h1-4H,5-6,12H2,(H2,11,14).
What are the key properties of 1-amino-1-[2-(4-chlorophenyl)ethyl]urea?
1-amino-1-[2-(4-chlorophenyl)ethyl]urea has a molecular weight of 213.67 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 66954070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).