4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide

C20H23ClN4O2 — CID 119891303

IUPAC4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1
InChIInChI=1S/C20H23ClN4O2/c1-24(2)8-9-25-7-6-13-4-5-14(10-18(13)25)23-20(26)15-11-16(21)17(22)12-19(15)27-3/h4-7,10-12H,8-9,22H2,1-3H3,(H,23,26)
InChIKeyMOTLSFJTXKARRO-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.70
Rot. Bonds6

About 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide

4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide (PubChem CID 119891303) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide
PubChem CID119891303
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1
InChIInChI=1S/C20H23ClN4O2/c1-24(2)8-9-25-7-6-13-4-5-14(10-18(13)25)23-20(26)15-11-16(21)17(22)12-19(15)27-3/h4-7,10-12H,8-9,22H2,1-3H3,(H,23,26)
InChIKeyMOTLSFJTXKARRO-UHFFFAOYSA-N
XLogP3.70
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
CID 119891273
5-acetamido-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]pyridine-2-carboxamide
CID 166207727
4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
CID 120597119
1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
CID 119891229
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
CID 119841244
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide
CID 119714813
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539901
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-hydroxy-2-phenylacetamide
CID 111539900
2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10802184

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide (CID 119891303) is 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1.
What is the InChIKey of 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide?
The InChIKey is MOTLSFJTXKARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-24(2)8-9-25-7-6-13-4-5-14(10-18(13)25)23-20(26)15-11-16(21)17(22)12-19(15)27-3/h4-7,10-12H,8-9,22H2,1-3H3,(H,23,26).
What are the key properties of 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide?
4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide has a molecular weight of 386.88 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide is sourced from PubChem (CID 119891303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).