1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea

C23H24ClN3O — CID 8701528

IUPAC1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H24ClN3O/c24-18-9-6-10-19(15-18)26-23(28)25-16-22(27-13-3-4-14-27)21-12-5-8-17-7-1-2-11-20(17)21/h1-2,5-12,15,22H,3-4,13-14,16H2,(H2,25,26,28)/t22-/m0/s1
InChIKeyXTJCCWXLUNIHAG-QFIPXVFZSA-N
MW393.92 g/mol
LogP5.45
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea

1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea (PubChem CID 8701528) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
PubChem CID8701528
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H24ClN3O/c24-18-9-6-10-19(15-18)26-23(28)25-16-22(27-13-3-4-14-27)21-12-5-8-17-7-1-2-11-20(17)21/h1-2,5-12,15,22H,3-4,13-14,16H2,(H2,25,26,28)/t22-/m0/s1
InChIKeyXTJCCWXLUNIHAG-QFIPXVFZSA-N
XLogP5.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]urea
CID 7496603
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
CID 18101923
1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 43004993
1-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95343785
N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454839
N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454719
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea
CID 51959661
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 30834737
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea (CID 8701528) is 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea is O=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is XTJCCWXLUNIHAG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-18-9-6-10-19(15-18)26-23(28)25-16-22(27-13-3-4-14-27)21-12-5-8-17-7-1-2-11-20(17)21/h1-2,5-12,15,22H,3-4,13-14,16H2,(H2,25,26,28)/t22-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea?
1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 393.92 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 8701528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).