1-[(3-bromobenzoyl)amino]-3-cyclohexylurea

C14H18BrN3O2 — CID 3693189

IUPAC1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
SMILESO=C(NNC(=O)c1cccc(Br)c1)NC1CCCCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,17,19)(H2,16,18,20)
InChIKeyUMAULKZIWACFDF-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.73
Rot. Bonds2

About 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea

1-[(3-bromobenzoyl)amino]-3-cyclohexylurea (PubChem CID 3693189) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
PubChem CID3693189
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
SMILESO=C(NNC(=O)c1cccc(Br)c1)NC1CCCCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,17,19)(H2,16,18,20)
InChIKeyUMAULKZIWACFDF-UHFFFAOYSA-N
XLogP2.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
1-cyclopropyl-3-[(3-nitrobenzoyl)amino]urea
CID 47131760
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
1-cyclohexyl-3-[(3,4,5-trimethoxybenzoyl)amino]urea
CID 1358989
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea?
The IUPAC name of 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea (CID 3693189) is 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea.
What is the SMILES notation for 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea?
The canonical SMILES for 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea is O=C(NNC(=O)c1cccc(Br)c1)NC1CCCCC1.
What is the InChIKey of 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea?
The InChIKey is UMAULKZIWACFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea?
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea has a molecular weight of 340.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromobenzoyl)amino]-3-cyclohexylurea is sourced from PubChem (CID 3693189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).