1-(4-amino-3-bromophenyl)-3-propylurea

C10H14BrN3O — CID 82861515

IUPAC1-(4-amino-3-bromophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-2-5-13-10(15)14-7-3-4-9(12)8(11)6-7/h3-4,6H,2,5,12H2,1H3,(H2,13,14,15)
InChIKeyKCUDTFVRKGSUGH-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-amino-3-bromophenyl)-3-propylurea

1-(4-amino-3-bromophenyl)-3-propylurea (PubChem CID 82861515) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-(4-amino-3-bromophenyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-amino-3-bromophenyl)-3-propylurea
PubChem CID82861515
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-(4-amino-3-bromophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-2-5-13-10(15)14-7-3-4-9(12)8(11)6-7/h3-4,6H,2,5,12H2,1H3,(H2,13,14,15)
InChIKeyKCUDTFVRKGSUGH-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(propylcarbamoylamino)benzoic acid
CID 115295944
methyl N-(4-amino-3-bromophenyl)carbamate
CID 82861669
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
2-bromo-5-(butylcarbamoylamino)benzoic acid
CID 115295946
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
1-(3-amino-2,6-dimethylphenyl)-3-propylurea
CID 28785713
2-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 65226761
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-(4-amino-3-bromophenyl)-3-cyclobutylurea
CID 116653685

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromophenyl)-3-propylurea?
The IUPAC name of 1-(4-amino-3-bromophenyl)-3-propylurea (CID 82861515) is 1-(4-amino-3-bromophenyl)-3-propylurea.
What is the SMILES notation for 1-(4-amino-3-bromophenyl)-3-propylurea?
The canonical SMILES for 1-(4-amino-3-bromophenyl)-3-propylurea is CCCNC(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of 1-(4-amino-3-bromophenyl)-3-propylurea?
The InChIKey is KCUDTFVRKGSUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-5-13-10(15)14-7-3-4-9(12)8(11)6-7/h3-4,6H,2,5,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-amino-3-bromophenyl)-3-propylurea?
1-(4-amino-3-bromophenyl)-3-propylurea has a molecular weight of 272.15 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-bromophenyl)-3-propylurea is sourced from PubChem (CID 82861515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).