1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea

C13H14ClN3O — CID 110473507

IUPAC1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCn1cccc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-17-7-3-6-12(17)9-15-13(18)16-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H2,15,16,18)
InChIKeyOYWXUTOTPLWRIW-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea

1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea (PubChem CID 110473507) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
PubChem CID110473507
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCn1cccc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-17-7-3-6-12(17)9-15-13(18)16-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H2,15,16,18)
InChIKeyOYWXUTOTPLWRIW-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-(3-chlorophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951461
1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 110775115
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
CID 110874649
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
1-(3-chlorophenyl)-3-undecylurea
CID 4294975

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea (CID 110473507) is 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea is Cn1cccc1CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea?
The InChIKey is OYWXUTOTPLWRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-7-3-6-12(17)9-15-13(18)16-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-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-2-yl)methyl]urea is sourced from PubChem (CID 110473507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).