N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide

C29H25FN2O2 — CID 42859460

IUPACN-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C29H25FN2O2/c1-21-7-5-11-26(17-21)31-28(33)19-23-8-6-12-27(18-23)32(20-22-13-15-25(30)16-14-22)29(34)24-9-3-2-4-10-24/h2-18H,19-20H2,1H3,(H,31,33)
InChIKeyCNJWNDBDLKXJAG-UHFFFAOYSA-N
MW452.53 g/mol
LogP6.16
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide

N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide (PubChem CID 42859460) has the molecular formula C29H25FN2O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
PubChem CID42859460
Molecular FormulaC29H25FN2O2
Molecular Weight452.53 g/mol
Exact Mass452.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C29H25FN2O2/c1-21-7-5-11-26(17-21)31-28(33)19-23-8-6-12-27(18-23)32(20-22-13-15-25(30)16-14-22)29(34)24-9-3-2-4-10-24/h2-18H,19-20H2,1H3,(H,31,33)
InChIKeyCNJWNDBDLKXJAG-UHFFFAOYSA-N
XLogP6.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056893
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-benzyl-4-cyano-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056722
3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056889
N-[3-[2-(3-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide
CID 42859630
(E)-N-benzyl-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056577
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
CID 46057051
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 46056352

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide (CID 42859460) is N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide is Cc1cccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is CNJWNDBDLKXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O2/c1-21-7-5-11-26(17-21)31-28(33)19-23-8-6-12-27(18-23)32(20-22-13-15-25(30)16-14-22)29(34)24-9-3-2-4-10-24/h2-18H,19-20H2,1H3,(H,31,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 452.53 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 42859460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).