N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide

C22H21N3O2 — CID 1340032

IUPACN-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide
SMILESCc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16-9-5-7-13-19(16)24-22(27)25-20-14-8-6-12-18(20)21(26)23-15-17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyKAGOHXIDAKXRQY-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.57
Rot. Bonds5

About N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide

N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide (PubChem CID 1340032) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide
PubChem CID1340032
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide
SMILESCc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16-9-5-7-13-19(16)24-22(27)25-20-14-8-6-12-18(20)21(26)23-15-17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H,23,26)(H2,24,25,27)
InChIKeyKAGOHXIDAKXRQY-UHFFFAOYSA-N
XLogP4.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide (CID 1340032) is N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide is Cc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide?
The InChIKey is KAGOHXIDAKXRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-9-5-7-13-19(16)24-22(27)25-20-14-8-6-12-18(20)21(26)23-15-17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide?
N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-methylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 1340032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).