N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C26H28FN5O3 — CID 123532851

IUPACN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(CC2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C26H28FN5O3/c1-14-22(12-20-19-11-16(27)5-10-21(19)31-25(20)34)29-15(2)24(14)26(35)28-13-23(33)30-17-6-8-18(9-7-17)32(3)4/h5-11,20,29H,12-13H2,1-4H3,(H,28,35)(H,30,33)(H,31,34)
InChIKeyBDARVECZGBPJAX-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.48
Rot. Bonds7

About N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 123532851) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID123532851
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(CC2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C26H28FN5O3/c1-14-22(12-20-19-11-16(27)5-10-21(19)31-25(20)34)29-15(2)24(14)26(35)28-13-23(33)30-17-6-8-18(9-7-17)32(3)4/h5-11,20,29H,12-13H2,1-4H3,(H,28,35)(H,30,33)(H,31,34)
InChIKeyBDARVECZGBPJAX-UHFFFAOYSA-N
XLogP3.48
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 143719434
N-[2-(diethylamino)ethyl]-5-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 163895816
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110619451
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CID 46674146
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide
CID 44545525
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7110409
N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 131991673
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2311274
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 123532851) is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(CC2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is BDARVECZGBPJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-14-22(12-20-19-11-16(27)5-10-21(19)31-25(20)34)29-15(2)24(14)26(35)28-13-23(33)30-17-6-8-18(9-7-17)32(3)4/h5-11,20,29H,12-13H2,1-4H3,(H,28,35)(H,30,33)(H,31,34).
What are the key properties of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 123532851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).