N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide

C21H22ClN3O2 — CID 4807536

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22ClN3O2/c1-25(14-20(26)24-17-11-9-16(22)10-12-17)21(27)8-4-5-15-13-23-19-7-3-2-6-18(15)19/h2-3,6-7,9-13,23H,4-5,8,14H2,1H3,(H,24,26)
InChIKeyWVYCRFVYBOTHBO-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.24
Rot. Bonds7

About N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide

N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide (PubChem CID 4807536) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
PubChem CID4807536
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22ClN3O2/c1-25(14-20(26)24-17-11-9-16(22)10-12-17)21(27)8-4-5-15-13-23-19-7-3-2-6-18(15)19/h2-3,6-7,9-13,23H,4-5,8,14H2,1H3,(H,24,26)
InChIKeyWVYCRFVYBOTHBO-UHFFFAOYSA-N
XLogP4.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 9439554
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016493
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide (CID 4807536) is N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The InChIKey is WVYCRFVYBOTHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-25(14-20(26)24-17-11-9-16(22)10-12-17)21(27)8-4-5-15-13-23-19-7-3-2-6-18(15)19/h2-3,6-7,9-13,23H,4-5,8,14H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide has a molecular weight of 383.88 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide is sourced from PubChem (CID 4807536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).