1-(2-aminobutyl)-3-(4-chlorophenyl)urea

C11H16ClN3O — CID 63733055

IUPAC1-(2-aminobutyl)-3-(4-chlorophenyl)urea
SMILESCCC(N)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3O/c1-2-9(13)7-14-11(16)15-10-5-3-8(12)4-6-10/h3-6,9H,2,7,13H2,1H3,(H2,14,15,16)
InChIKeySVYBMBYCIAIRDI-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-aminobutyl)-3-(4-chlorophenyl)urea

1-(2-aminobutyl)-3-(4-chlorophenyl)urea (PubChem CID 63733055) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-(4-chlorophenyl)urea
PubChem CID63733055
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(2-aminobutyl)-3-(4-chlorophenyl)urea
SMILESCCC(N)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3O/c1-2-9(13)7-14-11(16)15-10-5-3-8(12)4-6-10/h3-6,9H,2,7,13H2,1H3,(H2,14,15,16)
InChIKeySVYBMBYCIAIRDI-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea
CID 107654102
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 55102669
4-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066307
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
CID 40625211
1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
CID 158191515
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea
CID 124565420
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(2-aminobutyl)-3-(4-chlorophenyl)urea (CID 63733055) is 1-(2-aminobutyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(2-aminobutyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(2-aminobutyl)-3-(4-chlorophenyl)urea is CCC(N)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(2-aminobutyl)-3-(4-chlorophenyl)urea?
The InChIKey is SVYBMBYCIAIRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-9(13)7-14-11(16)15-10-5-3-8(12)4-6-10/h3-6,9H,2,7,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-aminobutyl)-3-(4-chlorophenyl)urea?
1-(2-aminobutyl)-3-(4-chlorophenyl)urea has a molecular weight of 241.72 g/mol, XLogP of 2.20, 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-(4-chlorophenyl)urea is sourced from PubChem (CID 63733055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).