1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea

C13H14ClN3O — CID 110775115

IUPAC1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
SMILESCn1ccc(CNC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H14ClN3O/c1-17-6-5-10(9-17)8-15-13(18)16-12-4-2-3-11(14)7-12/h2-7,9H,8H2,1H3,(H2,15,16,18)
InChIKeyQIZBUZGXNYCKTN-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea

1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea (PubChem CID 110775115) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
PubChem CID110775115
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
SMILESCn1ccc(CNC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H14ClN3O/c1-17-6-5-10(9-17)8-15-13(18)16-12-4-2-3-11(14)7-12/h2-7,9H,8H2,1H3,(H2,15,16,18)
InChIKeyQIZBUZGXNYCKTN-UHFFFAOYSA-N
XLogP3.00
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chlorophenyl)ethyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 96569165
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1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
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1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
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1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
CID 110874649
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea (CID 110775115) is 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea is Cn1ccc(CNC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
The InChIKey is QIZBUZGXNYCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-6-5-10(9-17)8-15-13(18)16-12-4-2-3-11(14)7-12/h2-7,9H,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea has a molecular weight of 263.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea is sourced from PubChem (CID 110775115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).