2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide

C10H12BrN3O2 — CID 47031802

IUPAC2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H12BrN3O2/c1-12-9(15)6-13-10(16)14-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyRYSPVYSUNDGZEP-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.32
Rot. Bonds3

About 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide

2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide (PubChem CID 47031802) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
PubChem CID47031802
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H12BrN3O2/c1-12-9(15)6-13-10(16)14-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyRYSPVYSUNDGZEP-UHFFFAOYSA-N
XLogP1.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
CID 119053055
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108870224
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide (CID 47031802) is 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide is CNC(=O)CNC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide?
The InChIKey is RYSPVYSUNDGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-12-9(15)6-13-10(16)14-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H,12,15)(H2,13,14,16).
What are the key properties of 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide?
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide has a molecular weight of 286.13 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide is sourced from PubChem (CID 47031802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).