4-[[4-(methylcarbamoyl)anilino]methyl]benzamide

C16H17N3O2 — CID 43232718

IUPAC4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
SMILESCNC(=O)c1ccc(NCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-18-16(21)13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(17)20/h2-9,19H,10H2,1H3,(H2,17,20)(H,18,21)
InChIKeyMMSLXLYOMMHDCN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds5

About 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide

4-[[4-(methylcarbamoyl)anilino]methyl]benzamide (PubChem CID 43232718) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
PubChem CID43232718
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
SMILESCNC(=O)c1ccc(NCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-18-16(21)13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(17)20/h2-9,19H,10H2,1H3,(H2,17,20)(H,18,21)
InChIKeyMMSLXLYOMMHDCN-UHFFFAOYSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]-N-methylbenzamide
CID 60984866
4-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66397859
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
CID 43760410

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide?
The IUPAC name of 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide (CID 43232718) is 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide.
What is the SMILES notation for 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide?
The canonical SMILES for 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide is CNC(=O)c1ccc(NCc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide?
The InChIKey is MMSLXLYOMMHDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-18-16(21)13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(17)20/h2-9,19H,10H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide?
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylcarbamoyl)anilino]methyl]benzamide is sourced from PubChem (CID 43232718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).