[4-(3-bromoprop-1-enyl)phenyl]urea

C10H11BrN2O — CID 169475818

IUPAC[4-(3-bromoprop-1-enyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C=CCBr)cc1
InChIInChI=1S/C10H11BrN2O/c11-7-1-2-8-3-5-9(6-4-8)13-10(12)14/h1-6H,7H2,(H3,12,13,14)
InChIKeyPHNWWDSDNAATAW-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.59
Rot. Bonds3

About [4-(3-bromoprop-1-enyl)phenyl]urea

[4-(3-bromoprop-1-enyl)phenyl]urea (PubChem CID 169475818) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is [4-(3-bromoprop-1-enyl)phenyl]urea.

Molecular Properties

Compound Name[4-(3-bromoprop-1-enyl)phenyl]urea
PubChem CID169475818
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name[4-(3-bromoprop-1-enyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C=CCBr)cc1
InChIInChI=1S/C10H11BrN2O/c11-7-1-2-8-3-5-9(6-4-8)13-10(12)14/h1-6H,7H2,(H3,12,13,14)
InChIKeyPHNWWDSDNAATAW-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-bromoprop-1-enyl)phenyl]-3-chloropropanamide
CID 169476328
3-[4-(carbamoylamino)phenyl]prop-2-enoic acid
CID 54391419
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
[4-(hydroxyiminomethyl)phenyl]urea
CID 88614645
[4-[3-(methylamino)prop-1-enyl]phenyl]thiourea
CID 169473910
(4-bromophenyl)urea
CID 16074
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
[4-(3-hydroxyprop-1-enyl)phenyl]thiourea
CID 169453603
N-[4-(4-bromobut-1-enyl)phenyl]-3-chloropropanamide
CID 170498333
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
4-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557826

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromoprop-1-enyl)phenyl]urea?
The IUPAC name of [4-(3-bromoprop-1-enyl)phenyl]urea (CID 169475818) is [4-(3-bromoprop-1-enyl)phenyl]urea.
What is the SMILES notation for [4-(3-bromoprop-1-enyl)phenyl]urea?
The canonical SMILES for [4-(3-bromoprop-1-enyl)phenyl]urea is NC(=O)Nc1ccc(C=CCBr)cc1.
What is the InChIKey of [4-(3-bromoprop-1-enyl)phenyl]urea?
The InChIKey is PHNWWDSDNAATAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-7-1-2-8-3-5-9(6-4-8)13-10(12)14/h1-6H,7H2,(H3,12,13,14).
What are the key properties of [4-(3-bromoprop-1-enyl)phenyl]urea?
[4-(3-bromoprop-1-enyl)phenyl]urea has a molecular weight of 255.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromoprop-1-enyl)phenyl]urea is sourced from PubChem (CID 169475818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).