N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

C24H22FNO — CID 42697725

IUPACN-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C24H22FNO/c1-19(16-20-10-4-2-5-11-20)17-26(18-21-12-6-3-7-13-21)24(27)22-14-8-9-15-23(22)25/h2-16H,17-18H2,1H3/b19-16+
InChIKeyNDOXKAAGFFJNKY-KNTRCKAVSA-N
MW359.44 g/mol
LogP5.57
Rot. Bonds6

About N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide

N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (PubChem CID 42697725) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
PubChem CID42697725
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC NameN-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C24H22FNO/c1-19(16-20-10-4-2-5-11-20)17-26(18-21-12-6-3-7-13-21)24(27)22-14-8-9-15-23(22)25/h2-16H,17-18H2,1H3/b19-16+
InChIKeyNDOXKAAGFFJNKY-KNTRCKAVSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 85152203
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 6173194
2-fluoro-N-(2-fluorobenzoyl)-N-(2-methylprop-2-enyl)benzamide
CID 91711960
(E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine
CID 132850323
4-ethyl-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 73074312
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294
N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333136
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-propylbenzamide
CID 4036279
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The IUPAC name of N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide (CID 42697725) is N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The canonical SMILES for N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is C/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)c1ccccc1F.
What is the InChIKey of N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
The InChIKey is NDOXKAAGFFJNKY-KNTRCKAVSA-N. The full InChI is InChI=1S/C24H22FNO/c1-19(16-20-10-4-2-5-11-20)17-26(18-21-12-6-3-7-13-21)24(27)22-14-8-9-15-23(22)25/h2-16H,17-18H2,1H3/b19-16+.
What are the key properties of N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide?
N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide has a molecular weight of 359.44 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide is sourced from PubChem (CID 42697725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).