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

C21H22ClN3O — CID 113214463

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN3O/c22-17-7-5-16(6-8-17)21(10-11-21)14-25-20(26)23-12-9-15-13-24-19-4-2-1-3-18(15)19/h1-8,13,24H,9-12,14H2,(H2,23,25,26)
InChIKeyAYKAEEQCWCHTHA-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.39
Rot. Bonds6

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

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 113214463) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID113214463
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN3O/c22-17-7-5-16(6-8-17)21(10-11-21)14-25-20(26)23-12-9-15-13-24-19-4-2-1-3-18(15)19/h1-8,13,24H,9-12,14H2,(H2,23,25,26)
InChIKeyAYKAEEQCWCHTHA-UHFFFAOYSA-N
XLogP4.39
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 110438172
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113214484
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea (CID 113214463) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ccccc12)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is AYKAEEQCWCHTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-17-7-5-16(6-8-17)21(10-11-21)14-25-20(26)23-12-9-15-13-24-19-4-2-1-3-18(15)19/h1-8,13,24H,9-12,14H2,(H2,23,25,26).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 367.88 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 113214463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).