1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea

C13H12Cl2N2OS — CID 17181664

IUPAC1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-8(11-5-6-12(15)19-11)16-13(18)17-10-4-2-3-9(14)7-10/h2-8H,1H3,(H2,16,17,18)
InChIKeyUOMSVWHJNJZYBH-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.94
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea

1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea (PubChem CID 17181664) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
PubChem CID17181664
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-8(11-5-6-12(15)19-11)16-13(18)17-10-4-2-3-9(14)7-10/h2-8H,1H3,(H2,16,17,18)
InChIKeyUOMSVWHJNJZYBH-UHFFFAOYSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17181717
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877832
1-[4-(1-aminoethyl)phenyl]-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 61471421
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea
CID 64993875
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea (CID 17181664) is 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea is CC(NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea?
The InChIKey is UOMSVWHJNJZYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-8(11-5-6-12(15)19-11)16-13(18)17-10-4-2-3-9(14)7-10/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea has a molecular weight of 315.23 g/mol, XLogP of 4.94, 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-(5-chlorothiophen-2-yl)ethyl]urea is sourced from PubChem (CID 17181664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).