N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride

C24H23F3N3O5- — CID 161251538

IUPACN-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride
SMILESO=C(Nc1ccc2c(C(F)F)cc(=O)oc2c1)C(Cc1ccccc1)NC(=O)N1CCOCC1.[F-]
InChIInChI=1S/C24H23F2N3O5.FH/c25-22(26)18-14-21(30)34-20-13-16(6-7-17(18)20)27-23(31)19(12-15-4-2-1-3-5-15)28-24(32)29-8-10-33-11-9-29;/h1-7,13-14,19,22H,8-12H2,(H,27,31)(H,28,32);1H/p-1
InChIKeyVBIKQKQMMUHWAF-UHFFFAOYSA-M
MW490.46 g/mol
LogP0.33
Rot. Bonds6

About N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride

N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride (PubChem CID 161251538) has the molecular formula C24H23F3N3O5- and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride.

Molecular Properties

Compound NameN-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride
PubChem CID161251538
Molecular FormulaC24H23F3N3O5-
Molecular Weight490.46 g/mol
Exact Mass490.16
IUPAC NameN-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride
SMILESO=C(Nc1ccc2c(C(F)F)cc(=O)oc2c1)C(Cc1ccccc1)NC(=O)N1CCOCC1.[F-]
InChIInChI=1S/C24H23F2N3O5.FH/c25-22(26)18-14-21(30)34-20-13-16(6-7-17(18)20)27-23(31)19(12-15-4-2-1-3-5-15)28-24(32)29-8-10-33-11-9-29;/h1-7,13-14,19,22H,8-12H2,(H,27,31)(H,28,32);1H/p-1
InChIKeyVBIKQKQMMUHWAF-UHFFFAOYSA-M
XLogP0.33
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride 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

N-[1-(1H-indol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605520
N-[1-(1H-indol-6-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605295
(2S)-2-[(2-aminoacetyl)amino]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-3-phenylpropanamide
CID 24753988
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605443
N-[(2R)-1-oxo-3-phenyl-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]morpholine-4-carboxamide
CID 124656040
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
N-[(2S)-1-[[(2S)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54508039
N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70077523
N-[(2S)-1-[3-[1-(4-nitrophenyl)pent-1-enyl]anilino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54145957
2-[[2-[[6-amino-2-[[3-hydroxy-2-(morpholine-4-carbonylamino)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-N-(4-methyl-2-oxochromen-7-yl)pentanediamide;hydrochloride
CID 160708689
N-[(2S)-1-anilino-1,4-dioxo-4-piperazin-1-ylbutan-2-yl]morpholine-4-carboxamide;sulfane
CID 160582993

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride?
The IUPAC name of N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride (CID 161251538) is N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride.
What is the SMILES notation for N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride?
The canonical SMILES for N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride is O=C(Nc1ccc2c(C(F)F)cc(=O)oc2c1)C(Cc1ccccc1)NC(=O)N1CCOCC1.[F-].
What is the InChIKey of N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride?
The InChIKey is VBIKQKQMMUHWAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23F2N3O5.FH/c25-22(26)18-14-21(30)34-20-13-16(6-7-17(18)20)27-23(31)19(12-15-4-2-1-3-5-15)28-24(32)29-8-10-33-11-9-29;/h1-7,13-14,19,22H,8-12H2,(H,27,31)(H,28,32);1H/p-1.
What are the key properties of N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride?
N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride has a molecular weight of 490.46 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(difluoromethyl)-2-oxochromen-7-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide fluoride is sourced from PubChem (CID 161251538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).