2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide

C11H14BrN3O2 — CID 63678917

IUPAC2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CBr)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H14BrN3O2/c1-7(14-10(16)6-12)8-2-4-9(5-3-8)15-11(13)17/h2-5,7H,6H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyJGZXYTSOOIYWKD-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.75
Rot. Bonds4

About 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide

2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide (PubChem CID 63678917) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
PubChem CID63678917
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CBr)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H14BrN3O2/c1-7(14-10(16)6-12)8-2-4-9(5-3-8)15-11(13)17/h2-5,7H,6H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyJGZXYTSOOIYWKD-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
CID 62832500
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide
CID 62836024
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 55321132

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide?
The IUPAC name of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide (CID 63678917) is 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide is CC(NC(=O)CBr)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide?
The InChIKey is JGZXYTSOOIYWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7(14-10(16)6-12)8-2-4-9(5-3-8)15-11(13)17/h2-5,7H,6H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide?
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide has a molecular weight of 300.16 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide is sourced from PubChem (CID 63678917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).