3-(dimethylamino)-N-(4-formylphenyl)benzamide

C16H16N2O2 — CID 106912114

IUPAC3-(dimethylamino)-N-(4-formylphenyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C16H16N2O2/c1-18(2)15-5-3-4-13(10-15)16(20)17-14-8-6-12(11-19)7-9-14/h3-11H,1-2H3,(H,17,20)
InChIKeyCXEFGNUJOVXJMR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.82
Rot. Bonds4

About 3-(dimethylamino)-N-(4-formylphenyl)benzamide

3-(dimethylamino)-N-(4-formylphenyl)benzamide (PubChem CID 106912114) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4-formylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4-formylphenyl)benzamide
PubChem CID106912114
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(dimethylamino)-N-(4-formylphenyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C16H16N2O2/c1-18(2)15-5-3-4-13(10-15)16(20)17-14-8-6-12(11-19)7-9-14/h3-11H,1-2H3,(H,17,20)
InChIKeyCXEFGNUJOVXJMR-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide
CID 145184822
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
3-[(4-formylphenyl)carbamoyl]benzoic acid;methanol
CID 143557011
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-[4-[[(E)-pyridin-4-ylmethylideneamino]carbamoyl]phenyl]benzamide
CID 90642883
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
CID 15491493

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4-formylphenyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(4-formylphenyl)benzamide (CID 106912114) is 3-(dimethylamino)-N-(4-formylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4-formylphenyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(4-formylphenyl)benzamide is CN(C)c1cccc(C(=O)Nc2ccc(C=O)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(4-formylphenyl)benzamide?
The InChIKey is CXEFGNUJOVXJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(2)15-5-3-4-13(10-15)16(20)17-14-8-6-12(11-19)7-9-14/h3-11H,1-2H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-(4-formylphenyl)benzamide?
3-(dimethylamino)-N-(4-formylphenyl)benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(4-formylphenyl)benzamide is sourced from PubChem (CID 106912114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).