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

C18H18ClN3O2 — CID 110896404

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea
SMILESCc1cc2cc(NC(=O)NCC(O)c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C18H18ClN3O2/c1-11-8-13-9-15(6-7-16(13)21-11)22-18(24)20-10-17(23)12-2-4-14(19)5-3-12/h2-9,17,21,23H,10H2,1H3,(H2,20,22,24)
InChIKeyIUHXUMPNRDRSDZ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.98
Rot. Bonds4

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

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea (PubChem CID 110896404) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea
PubChem CID110896404
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea
SMILESCc1cc2cc(NC(=O)NCC(O)c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C18H18ClN3O2/c1-11-8-13-9-15(6-7-16(13)21-11)22-18(24)20-10-17(23)12-2-4-14(19)5-3-12/h2-9,17,21,23H,10H2,1H3,(H2,20,22,24)
InChIKeyIUHXUMPNRDRSDZ-UHFFFAOYSA-N
XLogP3.98
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474667
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
CID 136571788
1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474661
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95975954
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
2-(methylamino)-N-(2-methyl-1H-indol-5-yl)acetamide
CID 83633877
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea (CID 110896404) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea is Cc1cc2cc(NC(=O)NCC(O)c3ccc(Cl)cc3)ccc2[nH]1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea?
The InChIKey is IUHXUMPNRDRSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-8-13-9-15(6-7-16(13)21-11)22-18(24)20-10-17(23)12-2-4-14(19)5-3-12/h2-9,17,21,23H,10H2,1H3,(H2,20,22,24).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea has a molecular weight of 343.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea is sourced from PubChem (CID 110896404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).