1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea

C12H18BrN3O — CID 163286341

IUPAC1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea
SMILESCC(CN(C)C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H18BrN3O/c1-9(8-16(2)3)14-12(17)15-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H2,14,15,17)
InChIKeyFZYPTCNACNZDOO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea

1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea (PubChem CID 163286341) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea
PubChem CID163286341
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea
SMILESCC(CN(C)C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H18BrN3O/c1-9(8-16(2)3)14-12(17)15-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H2,14,15,17)
InChIKeyFZYPTCNACNZDOO-UHFFFAOYSA-N
XLogP2.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
2-chloro-5-[1-(dimethylamino)propan-2-ylcarbamoylamino]benzoic acid
CID 82937671
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
(2S)-2-[(4-bromophenyl)carbamoylamino]-N-[2-(dimethylamino)-2-oxoethyl]-4-methylpentanamide
CID 71525640
5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid
CID 82939834
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
[2-[1-[(4-bromophenyl)carbamoylamino]ethyl]-4-methylpentanoyl]oxidanium
CID 149168418
4-[(4-bromophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072595
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 26008081

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea (CID 163286341) is 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea is CC(CN(C)C)NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea?
The InChIKey is FZYPTCNACNZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9(8-16(2)3)14-12(17)15-11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea?
1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea has a molecular weight of 300.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea is sourced from PubChem (CID 163286341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).