[4-[1-(4-chlorophenyl)propylamino]phenyl]urea

C16H18ClN3O — CID 43745000

IUPAC[4-[1-(4-chlorophenyl)propylamino]phenyl]urea
SMILESCCC(Nc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-2-15(11-3-5-12(17)6-4-11)19-13-7-9-14(10-8-13)20-16(18)21/h3-10,15,19H,2H2,1H3,(H3,18,20,21)
InChIKeyMSDBLZLGPYPONJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.39
Rot. Bonds5

About [4-[1-(4-chlorophenyl)propylamino]phenyl]urea

[4-[1-(4-chlorophenyl)propylamino]phenyl]urea (PubChem CID 43745000) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)propylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)propylamino]phenyl]urea
PubChem CID43745000
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name[4-[1-(4-chlorophenyl)propylamino]phenyl]urea
SMILESCCC(Nc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-2-15(11-3-5-12(17)6-4-11)19-13-7-9-14(10-8-13)20-16(18)21/h3-10,15,19H,2H2,1H3,(H3,18,20,21)
InChIKeyMSDBLZLGPYPONJ-UHFFFAOYSA-N
XLogP4.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
N-[4-[[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]amino]phenyl]acetamide
CID 99840683
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
CID 43736529
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
[4-(2-ethylbutylamino)phenyl]urea
CID 43744912
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
CID 43705157

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)propylamino]phenyl]urea?
The IUPAC name of [4-[1-(4-chlorophenyl)propylamino]phenyl]urea (CID 43745000) is [4-[1-(4-chlorophenyl)propylamino]phenyl]urea.
What is the SMILES notation for [4-[1-(4-chlorophenyl)propylamino]phenyl]urea?
The canonical SMILES for [4-[1-(4-chlorophenyl)propylamino]phenyl]urea is CCC(Nc1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [4-[1-(4-chlorophenyl)propylamino]phenyl]urea?
The InChIKey is MSDBLZLGPYPONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-15(11-3-5-12(17)6-4-11)19-13-7-9-14(10-8-13)20-16(18)21/h3-10,15,19H,2H2,1H3,(H3,18,20,21).
What are the key properties of [4-[1-(4-chlorophenyl)propylamino]phenyl]urea?
[4-[1-(4-chlorophenyl)propylamino]phenyl]urea has a molecular weight of 303.79 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)propylamino]phenyl]urea is sourced from PubChem (CID 43745000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).