1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea

C12H15BrN2O2 — CID 56805862

IUPAC1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
SMILESCONC(=O)NCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H15BrN2O2/c1-17-15-11(16)14-8-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyGMIJHLPETNJBBN-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.34
Rot. Bonds4

About 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea

1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea (PubChem CID 56805862) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea.

Molecular Properties

Compound Name1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
PubChem CID56805862
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
SMILESCONC(=O)NCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H15BrN2O2/c1-17-15-11(16)14-8-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyGMIJHLPETNJBBN-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119786297
2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
CID 119325130
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
CID 56791058
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552
(2S)-2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119325122
3-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 75438328
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
methyl N-[4-[[[N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111572684
methyl 3-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]benzoate
CID 166172399
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111572597

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea?
The IUPAC name of 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea (CID 56805862) is 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea.
What is the SMILES notation for 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea?
The canonical SMILES for 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea is CONC(=O)NCC1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea?
The InChIKey is GMIJHLPETNJBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-15-11(16)14-8-12(5-6-12)9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H2,14,15,16).
What are the key properties of 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea?
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea has a molecular weight of 299.17 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea is sourced from PubChem (CID 56805862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).