1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea

C11H12BrN3O — CID 95975275

IUPAC1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea
SMILESC[C@@H](C#N)CNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c1-8(6-13)7-14-11(16)15-10-4-2-9(12)3-5-10/h2-5,8H,7H2,1H3,(H2,14,15,16)/t8-/m0/s1
InChIKeyIFTBMNRXCHTLHP-QMMMGPOBSA-N
MW282.14 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea

1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea (PubChem CID 95975275) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea
PubChem CID95975275
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea
SMILESC[C@@H](C#N)CNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c1-8(6-13)7-14-11(16)15-10-4-2-9(12)3-5-10/h2-5,8H,7H2,1H3,(H2,14,15,16)/t8-/m0/s1
InChIKeyIFTBMNRXCHTLHP-QMMMGPOBSA-N
XLogP2.73
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-propan-2-yloxyphenyl)-3-(2-cyanopropyl)urea
CID 75426935
4-[(4-bromophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072595
N-[4-(2-cyanopropylamino)phenyl]acetamide
CID 43245372
(2S)-3-[(4-bromophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838136
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
(2S)-2-amino-N-(4-bromophenyl)-2-cyanoacetamide
CID 97104438
N-(4-bromophenyl)-2-cyanobutanamide
CID 55207882
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
1-(4-cyanophenyl)-3-[2-methyl-3-(methylamino)propyl]urea
CID 113282530
N-[3-[[(2S)-2-cyanopropyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 95975285
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea (CID 95975275) is 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea is C[C@@H](C#N)CNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea?
The InChIKey is IFTBMNRXCHTLHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-8(6-13)7-14-11(16)15-10-4-2-9(12)3-5-10/h2-5,8H,7H2,1H3,(H2,14,15,16)/t8-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea?
1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea has a molecular weight of 282.14 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea is sourced from PubChem (CID 95975275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).