N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide

C22H24ClN3O5 — CID 42537935

IUPACN-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCCC(=O)Nc3ccc(OC)c(Cl)c3)n(C)c2c1
InChIInChI=1S/C22H24ClN3O5/c1-26-17-10-14(29-2)11-20(31-4)15(17)12-18(26)22(28)24-8-7-21(27)25-13-5-6-19(30-3)16(23)9-13/h5-6,9-12H,7-8H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLSINTYWXXSWBJU-UHFFFAOYSA-N
MW445.90 g/mol
LogP3.62
Rot. Bonds8

About N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide

N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide (PubChem CID 42537935) has the molecular formula C22H24ClN3O5 and a molecular weight of 445.90 g/mol. Its IUPAC name is N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide
PubChem CID42537935
Molecular FormulaC22H24ClN3O5
Molecular Weight445.90 g/mol
Exact Mass445.14
IUPAC NameN-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCCC(=O)Nc3ccc(OC)c(Cl)c3)n(C)c2c1
InChIInChI=1S/C22H24ClN3O5/c1-26-17-10-14(29-2)11-20(31-4)15(17)12-18(26)22(28)24-8-7-21(27)25-13-5-6-19(30-3)16(23)9-13/h5-6,9-12H,7-8H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLSINTYWXXSWBJU-UHFFFAOYSA-N
XLogP3.62
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N-(3-chloro-4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025681

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide (CID 42537935) is N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide is COc1cc(OC)c2cc(C(=O)NCCC(=O)Nc3ccc(OC)c(Cl)c3)n(C)c2c1.
What is the InChIKey of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide?
The InChIKey is LSINTYWXXSWBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5/c1-26-17-10-14(29-2)11-20(31-4)15(17)12-18(26)22(28)24-8-7-21(27)25-13-5-6-19(30-3)16(23)9-13/h5-6,9-12H,7-8H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide?
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide has a molecular weight of 445.90 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 42537935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).