1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea

C18H19BrFN3O — CID 10222094

IUPAC1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)cc1F
InChIInChI=1S/C18H19BrFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-13(11-23)21-18(24)22-17-5-3-2-4-15(17)19/h2-7,10,13H,8-9,11H2,1H3,(H2,21,22,24)/t13-/m1/s1
InChIKeyKTUAVJMNKVCKAO-CYBMUJFWSA-N
MW392.27 g/mol
LogP4.30
Rot. Bonds3

About 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea

1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea (PubChem CID 10222094) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
PubChem CID10222094
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC Name1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)cc1F
InChIInChI=1S/C18H19BrFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-13(11-23)21-18(24)22-17-5-3-2-4-15(17)19/h2-7,10,13H,8-9,11H2,1H3,(H2,21,22,24)/t13-/m1/s1
InChIKeyKTUAVJMNKVCKAO-CYBMUJFWSA-N
XLogP4.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]urea
CID 22327593
1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 67002034
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
CID 22327579
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 124846248
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 124854450
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 67293554
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea (CID 10222094) is 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea is Cc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)cc1F.
What is the InChIKey of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
The InChIKey is KTUAVJMNKVCKAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-13(11-23)21-18(24)22-17-5-3-2-4-15(17)19/h2-7,10,13H,8-9,11H2,1H3,(H2,21,22,24)/t13-/m1/s1.
What are the key properties of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea has a molecular weight of 392.27 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 10222094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).