3-acetamido-N-[(3-bromophenyl)methyl]benzamide

C16H15BrN2O2 — CID 127116055

IUPAC3-acetamido-N-[(3-bromophenyl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrN2O2/c1-11(20)19-15-7-3-5-13(9-15)16(21)18-10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyNGGWJQUUEJDVRU-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.34
Rot. Bonds4

About 3-acetamido-N-[(3-bromophenyl)methyl]benzamide

3-acetamido-N-[(3-bromophenyl)methyl]benzamide (PubChem CID 127116055) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-acetamido-N-[(3-bromophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-bromophenyl)methyl]benzamide
PubChem CID127116055
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-acetamido-N-[(3-bromophenyl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrN2O2/c1-11(20)19-15-7-3-5-13(9-15)16(21)18-10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyNGGWJQUUEJDVRU-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110794149
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
3-acetamido-N-ethylbenzamide
CID 17230670
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
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CID 17403034

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-bromophenyl)methyl]benzamide?
The IUPAC name of 3-acetamido-N-[(3-bromophenyl)methyl]benzamide (CID 127116055) is 3-acetamido-N-[(3-bromophenyl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(3-bromophenyl)methyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(3-bromophenyl)methyl]benzamide is CC(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2)c1.
What is the InChIKey of 3-acetamido-N-[(3-bromophenyl)methyl]benzamide?
The InChIKey is NGGWJQUUEJDVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11(20)19-15-7-3-5-13(9-15)16(21)18-10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-acetamido-N-[(3-bromophenyl)methyl]benzamide?
3-acetamido-N-[(3-bromophenyl)methyl]benzamide has a molecular weight of 347.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-bromophenyl)methyl]benzamide is sourced from PubChem (CID 127116055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).