2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide

C16H17N3O2 — CID 108899120

IUPAC2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
SMILESCc1ccc(CNC(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C16H17N3O2/c1-11-6-8-12(9-7-11)10-18-16(21)19-15(20)13-4-2-3-5-14(13)17/h2-9H,10,17H2,1H3,(H2,18,19,20,21)
InChIKeyVMBZNBRRXRQTJR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide

2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide (PubChem CID 108899120) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
PubChem CID108899120
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
SMILESCc1ccc(CNC(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C16H17N3O2/c1-11-6-8-12(9-7-11)10-18-16(21)19-15(20)13-4-2-3-5-14(13)17/h2-9H,10,17H2,1H3,(H2,18,19,20,21)
InChIKeyVMBZNBRRXRQTJR-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518149
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
ethane;N-[(4-methylphenyl)methylcarbamoyl]-2-sulfanylbenzamide
CID 142955508
2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
CID 108898720
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
CID 142955436
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide
CID 142955391
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
CID 108879563
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide?
The IUPAC name of 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide (CID 108899120) is 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide is Cc1ccc(CNC(=O)NC(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide?
The InChIKey is VMBZNBRRXRQTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-6-8-12(9-7-11)10-18-16(21)19-15(20)13-4-2-3-5-14(13)17/h2-9H,10,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide?
2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide is sourced from PubChem (CID 108899120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).