2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide

C16H23BrN4O3 — CID 110305506

IUPAC2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NCCN2CCOCC2)cc1Br
InChIInChI=1S/C16H23BrN4O3/c1-12-2-3-13(10-14(12)17)20-16(23)19-11-15(22)18-4-5-21-6-8-24-9-7-21/h2-3,10H,4-9,11H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyQWSJDXMRHTVICF-UHFFFAOYSA-N
MW399.29 g/mol
LogP1.33
Rot. Bonds6

About 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 110305506) has the molecular formula C16H23BrN4O3 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID110305506
Molecular FormulaC16H23BrN4O3
Molecular Weight399.29 g/mol
Exact Mass398.10
IUPAC Name2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NCCN2CCOCC2)cc1Br
InChIInChI=1S/C16H23BrN4O3/c1-12-2-3-13(10-14(12)17)20-16(23)19-11-15(22)18-4-5-21-6-8-24-9-7-21/h2-3,10H,4-9,11H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyQWSJDXMRHTVICF-UHFFFAOYSA-N
XLogP1.33
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
1-(3-bromo-4-methylphenyl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl]urea
CID 110310322
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 110305506) is 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc(NC(=O)NCC(=O)NCCN2CCOCC2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QWSJDXMRHTVICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O3/c1-12-2-3-13(10-14(12)17)20-16(23)19-11-15(22)18-4-5-21-6-8-24-9-7-21/h2-3,10H,4-9,11H2,1H3,(H,18,22)(H2,19,20,23).
What are the key properties of 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 399.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 110305506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).