[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea

C15H16ClN3O — CID 43744548

IUPAC[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
SMILESCC(Nc1cccc(NC(N)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(11-5-7-12(16)8-6-11)18-13-3-2-4-14(9-13)19-15(17)20/h2-10,18H,1H3,(H3,17,19,20)
InChIKeyNXWWYNBDDSJWPE-UHFFFAOYSA-N
MW289.77 g/mol
LogP4.00
Rot. Bonds4

About [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea

[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea (PubChem CID 43744548) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
PubChem CID43744548
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
SMILESCC(Nc1cccc(NC(N)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(11-5-7-12(16)8-6-11)18-13-3-2-4-14(9-13)19-15(17)20/h2-10,18H,1H3,(H3,17,19,20)
InChIKeyNXWWYNBDDSJWPE-UHFFFAOYSA-N
XLogP4.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea
CID 43744448
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855

Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea?
The IUPAC name of [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea (CID 43744548) is [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea.
What is the SMILES notation for [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea?
The canonical SMILES for [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea is CC(Nc1cccc(NC(N)=O)c1)c1ccc(Cl)cc1.
What is the InChIKey of [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea?
The InChIKey is NXWWYNBDDSJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(11-5-7-12(16)8-6-11)18-13-3-2-4-14(9-13)19-15(17)20/h2-10,18H,1H3,(H3,17,19,20).
What are the key properties of [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea?
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea has a molecular weight of 289.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-chlorophenyl)ethylamino]phenyl]urea is sourced from PubChem (CID 43744548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).