7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride

C22H27Cl2N3O2 — CID 119756085

IUPAC7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H26ClN3O2.ClH/c23-18-9-8-17-13-22(28)26(20(17)14-18)15-16-6-10-19(11-7-16)25-21(27)5-3-1-2-4-12-24;/h6-11,14H,1-5,12-13,15,24H2,(H,25,27);1H
InChIKeyZXEDVSMMDUZMLF-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.70
Rot. Bonds9

About 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride

7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride (PubChem CID 119756085) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
PubChem CID119756085
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.38 g/mol
Exact Mass435.15
IUPAC Name7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H26ClN3O2.ClH/c23-18-9-8-17-13-22(28)26(20(17)14-18)15-16-6-10-19(11-7-16)25-21(27)5-3-1-2-4-12-24;/h6-11,14H,1-5,12-13,15,24H2,(H,25,27);1H
InChIKeyZXEDVSMMDUZMLF-UHFFFAOYSA-N
XLogP4.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119307604
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95020536
7-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]heptanamide
CID 119762276
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307611
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119756087
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 86933819
(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide
CID 86891775
6-chloro-1-(5-oxohexyl)-3H-indol-2-one
CID 62017686
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride (CID 119756085) is 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1.
What is the InChIKey of 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride?
The InChIKey is ZXEDVSMMDUZMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2.ClH/c23-18-9-8-17-13-22(28)26(20(17)14-18)15-16-6-10-19(11-7-16)25-21(27)5-3-1-2-4-12-24;/h6-11,14H,1-5,12-13,15,24H2,(H,25,27);1H.
What are the key properties of 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride?
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride has a molecular weight of 436.38 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119756085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).