N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide

C16H17N3O2 — CID 2236875

IUPACN-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C16H17N3O2/c1-11-5-3-4-6-15(11)19-16(21)18-14-9-7-13(8-10-14)17-12(2)20/h3-10H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyBFOMMUFRGMPVIF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.60
Rot. Bonds3

About N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide

N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide (PubChem CID 2236875) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide
PubChem CID2236875
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C16H17N3O2/c1-11-5-3-4-6-15(11)19-16(21)18-14-9-7-13(8-10-14)17-12(2)20/h3-10H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyBFOMMUFRGMPVIF-UHFFFAOYSA-N
XLogP3.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide (CID 2236875) is N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is BFOMMUFRGMPVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-5-3-4-6-15(11)19-16(21)18-14-9-7-13(8-10-14)17-12(2)20/h3-10H,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide?
N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 2236875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).