1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea

C18H18ClN3O2 — CID 30375770

IUPAC1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
SMILESCCN1C(=O)Cc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H18ClN3O2/c1-2-22-16-8-7-15(9-13(16)10-17(22)23)21-18(24)20-11-12-3-5-14(19)6-4-12/h3-9H,2,10-11H2,1H3,(H2,20,21,24)
InChIKeyCQNRDMXAEHJVNJ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.57
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea

1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea (PubChem CID 30375770) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
PubChem CID30375770
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
SMILESCCN1C(=O)Cc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H18ClN3O2/c1-2-22-16-8-7-15(9-13(16)10-17(22)23)21-18(24)20-11-12-3-5-14(19)6-4-12/h3-9H,2,10-11H2,1H3,(H2,20,21,24)
InChIKeyCQNRDMXAEHJVNJ-UHFFFAOYSA-N
XLogP3.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea
CID 30375844
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
1-[(4-chlorophenyl)methyl]-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)urea
CID 30377346
2-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzamide
CID 27639248
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375820
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-thiophen-2-ylurea
CID 30375764
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide
CID 91624454
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 66761528
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea (CID 30375770) is 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea is CCN1C(=O)Cc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
The InChIKey is CQNRDMXAEHJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-2-22-16-8-7-15(9-13(16)10-17(22)23)21-18(24)20-11-12-3-5-14(19)6-4-12/h3-9H,2,10-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea has a molecular weight of 343.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea is sourced from PubChem (CID 30375770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).