4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide

C27H27F3N4O3 — CID 174642582

IUPAC4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1.NC(=O)C=Cc1cccnc1
InChIInChI=1S/C19H19F3N2O2.C8H8N2O/c1-13-2-4-14(5-3-13)18(25)23-15-6-7-17(16(12-15)19(20,21)22)24-8-10-26-11-9-24;9-8(11)4-3-7-2-1-5-10-6-7/h2-7,12H,8-11H2,1H3,(H,23,25);1-6H,(H2,9,11)
InChIKeyDQZQEPJNQRQKOQ-UHFFFAOYSA-N
MW512.53 g/mol
LogP4.68
Rot. Bonds5

About 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide

4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide (PubChem CID 174642582) has the molecular formula C27H27F3N4O3 and a molecular weight of 512.53 g/mol. Its IUPAC name is 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
PubChem CID174642582
Molecular FormulaC27H27F3N4O3
Molecular Weight512.53 g/mol
Exact Mass512.20
IUPAC Name4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1.NC(=O)C=Cc1cccnc1
InChIInChI=1S/C19H19F3N2O2.C8H8N2O/c1-13-2-4-14(5-3-13)18(25)23-15-6-7-17(16(12-15)19(20,21)22)24-8-10-26-11-9-24;9-8(11)4-3-7-2-1-5-10-6-7/h2-7,12H,8-11H2,1H3,(H,23,25);1-6H,(H2,9,11)
InChIKeyDQZQEPJNQRQKOQ-UHFFFAOYSA-N
XLogP4.68
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
CID 174709439
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)benzamide
CID 67494150
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
4-methyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22301441
5-[(3-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146060806
N-[4-methyl-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 88558688
6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
CID 164889105
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
(E)-N-[5-[2-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 158748680
4-(bromomethyl)-N-[4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 67494075

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
The IUPAC name of 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide (CID 174642582) is 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1.NC(=O)C=Cc1cccnc1.
What is the InChIKey of 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
The InChIKey is DQZQEPJNQRQKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2.C8H8N2O/c1-13-2-4-14(5-3-13)18(25)23-15-6-7-17(16(12-15)19(20,21)22)24-8-10-26-11-9-24;9-8(11)4-3-7-2-1-5-10-6-7/h2-7,12H,8-11H2,1H3,(H,23,25);1-6H,(H2,9,11).
What are the key properties of 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide?
4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide has a molecular weight of 512.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 174642582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).