1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea

C15H16ClN3O — CID 43298111

IUPAC1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1N
InChIInChI=1S/C15H16ClN3O/c1-10(13-4-2-3-5-14(13)17)18-15(20)19-12-8-6-11(16)7-9-12/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyNLGISKRTVPOMBV-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.80
Rot. Bonds3

About 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea

1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea (PubChem CID 43298111) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
PubChem CID43298111
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1N
InChIInChI=1S/C15H16ClN3O/c1-10(13-4-2-3-5-14(13)17)18-15(20)19-12-8-6-11(16)7-9-12/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyNLGISKRTVPOMBV-UHFFFAOYSA-N
XLogP3.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.80
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-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
CID 94841865
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
methyl 2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3992896
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
CID 8676014
methyl (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 946676
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea (CID 43298111) is 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea is CC(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1N.
What is the InChIKey of 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea?
The InChIKey is NLGISKRTVPOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(13-4-2-3-5-14(13)17)18-15(20)19-12-8-6-11(16)7-9-12/h2-10H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea?
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea has a molecular weight of 289.77 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 43298111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).