N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide

C29H32FN5O2 — CID 67994859

IUPACN-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(C(CN)c3c[nH]c4cc(N5CCOCC5)ccc34)c2F)cc1
InChIInChI=1S/C29H32FN5O2/c1-34(2)20-8-6-19(7-9-20)29(36)33-26-5-3-4-23(28(26)30)24(17-31)25-18-32-27-16-21(10-11-22(25)27)35-12-14-37-15-13-35/h3-11,16,18,24,32H,12-15,17,31H2,1-2H3,(H,33,36)
InChIKeyQHIXSBPKLXOPCP-UHFFFAOYSA-N
MW501.61 g/mol
LogP4.55
Rot. Bonds7

About N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide

N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide (PubChem CID 67994859) has the molecular formula C29H32FN5O2 and a molecular weight of 501.61 g/mol. Its IUPAC name is N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide
PubChem CID67994859
Molecular FormulaC29H32FN5O2
Molecular Weight501.61 g/mol
Exact Mass501.25
IUPAC NameN-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(C(CN)c3c[nH]c4cc(N5CCOCC5)ccc34)c2F)cc1
InChIInChI=1S/C29H32FN5O2/c1-34(2)20-8-6-19(7-9-20)29(36)33-26-5-3-4-23(28(26)30)24(17-31)25-18-32-27-16-21(10-11-22(25)27)35-12-14-37-15-13-35/h3-11,16,18,24,32H,12-15,17,31H2,1-2H3,(H,33,36)
InChIKeyQHIXSBPKLXOPCP-UHFFFAOYSA-N
XLogP4.55
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide 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

ethyl 4-[3-[[4-(dimethylamino)benzoyl]amino]-2-fluorophenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxylate
CID 67994786
[2-methyl-3-[1-(6-morpholin-4-yl-1H-indol-3-yl)-2-nitroethyl]phenyl]carbamic acid
CID 123227806
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4831761
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
N,N-diethyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21367636
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21173543
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide (CID 67994859) is N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2cccc(C(CN)c3c[nH]c4cc(N5CCOCC5)ccc34)c2F)cc1.
What is the InChIKey of N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide?
The InChIKey is QHIXSBPKLXOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O2/c1-34(2)20-8-6-19(7-9-20)29(36)33-26-5-3-4-23(28(26)30)24(17-31)25-18-32-27-16-21(10-11-22(25)27)35-12-14-37-15-13-35/h3-11,16,18,24,32H,12-15,17,31H2,1-2H3,(H,33,36).
What are the key properties of N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide?
N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide has a molecular weight of 501.61 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-1-(6-morpholin-4-yl-1H-indol-3-yl)ethyl]-2-fluorophenyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 67994859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).