2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide

C17H20N2O — CID 112979818

IUPAC2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)18-14-8-10-15(11-9-14)19-17(20)16-7-5-4-6-13(16)3/h4-12,18H,1-3H3,(H,19,20)
InChIKeySHLURZPVFIBZSR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.07
Rot. Bonds4

About 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide

2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide (PubChem CID 112979818) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
PubChem CID112979818
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)18-14-8-10-15(11-9-14)19-17(20)16-7-5-4-6-13(16)3/h4-12,18H,1-3H3,(H,19,20)
InChIKeySHLURZPVFIBZSR-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide (CID 112979818) is 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(NC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide?
The InChIKey is SHLURZPVFIBZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)18-14-8-10-15(11-9-14)19-17(20)16-7-5-4-6-13(16)3/h4-12,18H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide?
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide is sourced from PubChem (CID 112979818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).