1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea

C15H20BrN3O — CID 95628234

IUPAC1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea
SMILESCc1ccc(Br)cc1NC(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H20BrN3O/c1-10-2-3-11(16)8-14(10)18-15(20)17-12-6-7-19(9-12)13-4-5-13/h2-3,8,12-13H,4-7,9H2,1H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyHFCDHQYPQDOBJK-LBPRGKRZSA-N
MW338.25 g/mol
LogP3.12
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea

1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea (PubChem CID 95628234) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea
PubChem CID95628234
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea
SMILESCc1ccc(Br)cc1NC(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H20BrN3O/c1-10-2-3-11(16)8-14(10)18-15(20)17-12-6-7-19(9-12)13-4-5-13/h2-3,8,12-13H,4-7,9H2,1H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyHFCDHQYPQDOBJK-LBPRGKRZSA-N
XLogP3.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
CID 94199597
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 94795684
1-(5-bromo-2-methylphenyl)-3-(1,4-dioxaspiro[4.4]nonan-8-yl)urea
CID 75447216
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 79720090
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea (CID 95628234) is 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea is Cc1ccc(Br)cc1NC(=O)N[C@H]1CCN(C2CC2)C1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea?
The InChIKey is HFCDHQYPQDOBJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10-2-3-11(16)8-14(10)18-15(20)17-12-6-7-19(9-12)13-4-5-13/h2-3,8,12-13H,4-7,9H2,1H3,(H2,17,18,20)/t12-/m0/s1.
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea?
1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea has a molecular weight of 338.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-[(3S)-1-cyclopropylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95628234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).