1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

C19H23BrN4O2 — CID 48964032

IUPAC1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCCc1ccccc1Br)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H23BrN4O2/c20-17-4-2-1-3-16(17)6-8-22-19(25)23-14-15-5-7-21-18(13-15)24-9-11-26-12-10-24/h1-5,7,13H,6,8-12,14H2,(H2,22,23,25)
InChIKeyJQWBYSRCLFRKEP-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 48964032) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID48964032
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCCc1ccccc1Br)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H23BrN4O2/c20-17-4-2-1-3-16(17)6-8-22-19(25)23-14-15-5-7-21-18(13-15)24-9-11-26-12-10-24/h1-5,7,13H,6,8-12,14H2,(H2,22,23,25)
InChIKeyJQWBYSRCLFRKEP-UHFFFAOYSA-N
XLogP2.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 52518727
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022
1-[2-(3-fluorophenyl)ethyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 36962409
2-benzylsulfanyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 47047059
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (CID 48964032) is 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is O=C(NCCc1ccccc1Br)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is JQWBYSRCLFRKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c20-17-4-2-1-3-16(17)6-8-22-19(25)23-14-15-5-7-21-18(13-15)24-9-11-26-12-10-24/h1-5,7,13H,6,8-12,14H2,(H2,22,23,25).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 419.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 48964032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).