1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea

C19H22ClN3O — CID 72719298

IUPAC1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC1CCCN1c1ccccc1
InChIInChI=1S/C19H22ClN3O/c20-16-10-8-15(9-11-16)13-21-19(24)22-14-18-7-4-12-23(18)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,21,22,24)
InChIKeyFXZBEXLMSBMNQD-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.81
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea

1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea (PubChem CID 72719298) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
PubChem CID72719298
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC1CCCN1c1ccccc1
InChIInChI=1S/C19H22ClN3O/c20-16-10-8-15(9-11-16)13-21-19(24)22-14-18-7-4-12-23(18)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,21,22,24)
InChIKeyFXZBEXLMSBMNQD-UHFFFAOYSA-N
XLogP3.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
CID 99903541
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
CID 3072413
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619858
N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 166429844

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea (CID 72719298) is 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea is O=C(NCc1ccc(Cl)cc1)NCC1CCCN1c1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea?
The InChIKey is FXZBEXLMSBMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-16-10-8-15(9-11-16)13-21-19(24)22-14-18-7-4-12-23(18)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,21,22,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea has a molecular weight of 343.86 g/mol, XLogP of 3.81, 5 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-phenylpyrrolidin-2-yl)methyl]urea is sourced from PubChem (CID 72719298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).