3-methyl-N-phenacylbenzamide

C16H15NO2 — CID 3417494

IUPAC3-methyl-N-phenacylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-12-6-5-9-14(10-12)16(19)17-11-15(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyQZGCTMKIEFAKMV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.61
Rot. Bonds4

About 3-methyl-N-phenacylbenzamide

3-methyl-N-phenacylbenzamide (PubChem CID 3417494) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-methyl-N-phenacylbenzamide.

Molecular Properties

Compound Name3-methyl-N-phenacylbenzamide
PubChem CID3417494
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-methyl-N-phenacylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-12-6-5-9-14(10-12)16(19)17-11-15(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyQZGCTMKIEFAKMV-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213
3-chloro-4-methyl-N-phenacylbenzamide
CID 64991400
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 66172158

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenacylbenzamide?
The IUPAC name of 3-methyl-N-phenacylbenzamide (CID 3417494) is 3-methyl-N-phenacylbenzamide.
What is the SMILES notation for 3-methyl-N-phenacylbenzamide?
The canonical SMILES for 3-methyl-N-phenacylbenzamide is Cc1cccc(C(=O)NCC(=O)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-phenacylbenzamide?
The InChIKey is QZGCTMKIEFAKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-6-5-9-14(10-12)16(19)17-11-15(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-phenacylbenzamide?
3-methyl-N-phenacylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenacylbenzamide is sourced from PubChem (CID 3417494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).