1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea

C11H15Cl2N3O — CID 107654102

IUPAC1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea
SMILESCCC(N)CNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c1-2-9(14)6-15-11(17)16-10-4-7(12)3-8(13)5-10/h3-5,9H,2,6,14H2,1H3,(H2,15,16,17)
InChIKeyKPJHBBVJSABWIG-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea

1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107654102) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107654102
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea
SMILESCCC(N)CNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c1-2-9(14)6-15-11(17)16-10-4-7(12)3-8(13)5-10/h3-5,9H,2,6,14H2,1H3,(H2,15,16,17)
InChIKeyKPJHBBVJSABWIG-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
2-[[(3-chloro-5-fluorophenyl)carbamoylamino]methyl]butanoic acid
CID 107368668
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
CID 131851120
1-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-3-(3,5-dichlorophenyl)urea
CID 107654451
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea (CID 107654102) is 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea is CCC(N)CNC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is KPJHBBVJSABWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-2-9(14)6-15-11(17)16-10-4-7(12)3-8(13)5-10/h3-5,9H,2,6,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea?
1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 276.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107654102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).