N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide

C22H25F3N2O2 — CID 142940639

IUPACN-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N(C)[C@H](C)CCN(C)C=O
InChIInChI=1S/C22H25F3N2O2/c1-15-13-18(17-5-8-19(9-6-17)22(23,24)25)7-10-20(15)21(29)27(4)16(2)11-12-26(3)14-28/h5-10,13-14,16H,11-12H2,1-4H3/t16-/m1/s1
InChIKeyYXQXVZHBFGAHJY-MRXNPFEDSA-N
MW406.45 g/mol
LogP4.62
Rot. Bonds7

About N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide

N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 142940639) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID142940639
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N(C)[C@H](C)CCN(C)C=O
InChIInChI=1S/C22H25F3N2O2/c1-15-13-18(17-5-8-19(9-6-17)22(23,24)25)7-10-20(15)21(29)27(4)16(2)11-12-26(3)14-28/h5-10,13-14,16H,11-12H2,1-4H3/t16-/m1/s1
InChIKeyYXQXVZHBFGAHJY-MRXNPFEDSA-N
XLogP4.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide (CID 142940639) is N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide is Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N(C)[C@H](C)CCN(C)C=O.
What is the InChIKey of N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YXQXVZHBFGAHJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-15-13-18(17-5-8-19(9-6-17)22(23,24)25)7-10-20(15)21(29)27(4)16(2)11-12-26(3)14-28/h5-10,13-14,16H,11-12H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[formyl(methyl)amino]butan-2-yl]-N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 142940639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).