2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide

C16H16BrN3O3 — CID 1055744

IUPAC2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrN3O3/c1-23-14-7-5-12(6-8-14)19-15(21)10-18-16(22)20-13-4-2-3-11(17)9-13/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyXOBUTJXMIFCNKY-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.22
Rot. Bonds5

About 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide

2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 1055744) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID1055744
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC Name2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrN3O3/c1-23-14-7-5-12(6-8-14)19-15(21)10-18-16(22)20-13-4-2-3-11(17)9-13/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyXOBUTJXMIFCNKY-UHFFFAOYSA-N
XLogP3.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 42766024
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide
CID 97341331
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
CID 71451934
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113000525
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
methyl 4-[[2-(3-bromoanilino)acetyl]amino]benzoate
CID 603629

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide (CID 1055744) is 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XOBUTJXMIFCNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c1-23-14-7-5-12(6-8-14)19-15(21)10-18-16(22)20-13-4-2-3-11(17)9-13/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 378.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1055744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).