4-(2,2-dimethylpropanoyl)-N-phenylbenzamide

C18H19NO2 — CID 18949256

IUPAC4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
SMILESCC(C)(C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2,3)16(20)13-9-11-14(12-10-13)17(21)19-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,19,21)
InChIKeySNMOKUZKWPXYEC-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.17
Rot. Bonds3

About 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide

4-(2,2-dimethylpropanoyl)-N-phenylbenzamide (PubChem CID 18949256) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
PubChem CID18949256
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
SMILESCC(C)(C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2,3)16(20)13-9-11-14(12-10-13)17(21)19-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,19,21)
InChIKeySNMOKUZKWPXYEC-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzoic acid
CID 18949195
N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-(phenylcarbamoyl)benzoate
CID 158012761
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide (CID 18949256) is 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide is CC(C)(C)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide?
The InChIKey is SNMOKUZKWPXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,3)16(20)13-9-11-14(12-10-13)17(21)19-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,19,21).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide?
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-phenylbenzamide is sourced from PubChem (CID 18949256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).