1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

C19H22ClN3O2 — CID 27869101

IUPAC1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-7-18(8-6-17)22-19(24)21-13-15-3-1-2-4-16(15)14-23-9-11-25-12-10-23/h1-8H,9-14H2,(H2,21,22,24)
InChIKeySBYXHCMUNIQIPK-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 27869101) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID27869101
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CN1CCOCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-7-18(8-6-17)22-19(24)21-13-15-3-1-2-4-16(15)14-23-9-11-25-12-10-23/h1-8H,9-14H2,(H2,21,22,24)
InChIKeySBYXHCMUNIQIPK-UHFFFAOYSA-N
XLogP3.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481313
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 24626912
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51935301
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 27869101) is 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccccc1CN1CCOCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is SBYXHCMUNIQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-17-5-7-18(8-6-17)22-19(24)21-13-15-3-1-2-4-16(15)14-23-9-11-25-12-10-23/h1-8H,9-14H2,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 359.86 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 27869101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).