1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea

C21H26BrN3O2 — CID 60545648

IUPAC1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
SMILESCN(Cc1ccccc1Br)C(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H26BrN3O2/c1-24(16-18-4-2-3-5-20(18)22)21(26)23-19-8-6-17(7-9-19)10-11-25-12-14-27-15-13-25/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyFPZBNZNGXQLVEP-UHFFFAOYSA-N
MW432.36 g/mol
LogP3.99
Rot. Bonds6

About 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea

1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea (PubChem CID 60545648) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
PubChem CID60545648
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
SMILESCN(Cc1ccccc1Br)C(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H26BrN3O2/c1-24(16-18-4-2-3-5-20(18)22)21(26)23-19-8-6-17(7-9-19)10-11-25-12-14-27-15-13-25/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyFPZBNZNGXQLVEP-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545775
1-cyclopropyl-1-(cyclopropylmethyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea
CID 154747609
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55906965
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905798
3-(2-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706414
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
CID 55979378
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea (CID 60545648) is 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea is CN(Cc1ccccc1Br)C(=O)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
The InChIKey is FPZBNZNGXQLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-24(16-18-4-2-3-5-20(18)22)21(26)23-19-8-6-17(7-9-19)10-11-25-12-14-27-15-13-25/h2-9H,10-16H2,1H3,(H,23,26).
What are the key properties of 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea?
1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea has a molecular weight of 432.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-1-methyl-3-[4-(2-morpholin-4-ylethyl)phenyl]urea is sourced from PubChem (CID 60545648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).