1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

C18H22ClN3O2 — CID 36872492

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C18H22ClN3O2/c19-15-7-5-14(6-8-15)12-20-18(23)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-8,11,16H,1-2,9-10,12-13H2,(H2,20,21,23)/t16-/m0/s1
InChIKeyBXPMISIJQUERMD-INIZCTEOSA-N
MW347.85 g/mol
LogP3.57
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (PubChem CID 36872492) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
PubChem CID36872492
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C18H22ClN3O2/c19-15-7-5-14(6-8-15)12-20-18(23)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-8,11,16H,1-2,9-10,12-13H2,(H2,20,21,23)/t16-/m0/s1
InChIKeyBXPMISIJQUERMD-INIZCTEOSA-N
XLogP3.57
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 51291063
4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 31325262
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 40952622
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
CID 81172062
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
CID 61250554
1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 51116327

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (CID 36872492) is 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is BXPMISIJQUERMD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-15-7-5-14(6-8-15)12-20-18(23)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-8,11,16H,1-2,9-10,12-13H2,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 347.85 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 36872492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).