1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea

C11H15Cl2N3O — CID 65193306

IUPAC1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
SMILESCCC(CN)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-2-8(6-14)15-11(17)16-10-5-7(12)3-4-9(10)13/h3-5,8H,2,6,14H2,1H3,(H2,15,16,17)
InChIKeySXAWCXHUWCNAHY-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.85
Rot. Bonds4

About 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea

1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea (PubChem CID 65193306) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
PubChem CID65193306
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
SMILESCCC(CN)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-2-8(6-14)15-11(17)16-10-5-7(12)3-4-9(10)13/h3-5,8H,2,6,14H2,1H3,(H2,15,16,17)
InChIKeySXAWCXHUWCNAHY-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-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053
4-chloro-3-(pentan-3-ylcarbamoylamino)benzoic acid
CID 61189022
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958327

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea (CID 65193306) is 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea is CCC(CN)NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea?
The InChIKey is SXAWCXHUWCNAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-2-8(6-14)15-11(17)16-10-5-7(12)3-4-9(10)13/h3-5,8H,2,6,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea?
1-(1-aminobutan-2-yl)-3-(2,5-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-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 65193306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).