5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide

C21H20Cl2FN3O3 — CID 166853503

IUPAC5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=C(CCNC(=O)C1Cc2cc(Cl)ccc2N1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H20Cl2FN3O3/c1-12(26-20(28)11-30-15-3-4-16(23)17(24)10-15)6-7-25-21(29)19-9-13-8-14(22)2-5-18(13)27-19/h2-5,8,10,19,27H,1,6-7,9,11H2,(H,25,29)(H,26,28)
InChIKeyMESYQHAPPACQIE-UHFFFAOYSA-N
MW452.31 g/mol
LogP3.68
Rot. Bonds8

About 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide

5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 166853503) has the molecular formula C21H20Cl2FN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID166853503
Molecular FormulaC21H20Cl2FN3O3
Molecular Weight452.31 g/mol
Exact Mass451.09
IUPAC Name5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=C(CCNC(=O)C1Cc2cc(Cl)ccc2N1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H20Cl2FN3O3/c1-12(26-20(28)11-30-15-3-4-16(23)17(24)10-15)6-7-25-21(29)19-9-13-8-14(22)2-5-18(13)27-19/h2-5,8,10,19,27H,1,6-7,9,11H2,(H,25,29)(H,26,28)
InChIKeyMESYQHAPPACQIE-UHFFFAOYSA-N
XLogP3.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-(2-fluorocyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 155717007
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2-(dimethylamino)benzamide
CID 155264645
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-3-(4-chloro-6-oxopyridazin-1-yl)propanamide
CID 155303079
5-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]pyridine-3-carboxamide
CID 155265207
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
CID 166896148
benzyl N-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enylamino]-2-oxoethyl]carbamate
CID 155302893
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-6-methoxypyridine-3-carboxamide
CID 155264448
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 174169074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 166853503) is 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide is C=C(CCNC(=O)C1Cc2cc(Cl)ccc2N1)NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is MESYQHAPPACQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN3O3/c1-12(26-20(28)11-30-15-3-4-16(23)17(24)10-15)6-7-25-21(29)19-9-13-8-14(22)2-5-18(13)27-19/h2-5,8,10,19,27H,1,6-7,9,11H2,(H,25,29)(H,26,28).
What are the key properties of 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide?
5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 452.31 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 166853503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).