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

C20H21Cl2N3O3 — CID 119756087

IUPACN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1COCCN1
InChIInChI=1S/C20H20ClN3O3.ClH/c21-15-4-3-14-9-19(25)24(18(14)10-15)11-13-1-5-16(6-2-13)23-20(26)17-12-27-8-7-22-17;/h1-6,10,17,22H,7-9,11-12H2,(H,23,26);1H
InChIKeyGHHLDCKYPONLEX-UHFFFAOYSA-N
MW422.31 g/mol
LogP2.78
Rot. Bonds4

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

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119756087) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119756087
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1COCCN1
InChIInChI=1S/C20H20ClN3O3.ClH/c21-15-4-3-14-9-19(25)24(18(14)10-15)11-13-1-5-16(6-2-13)23-20(26)17-12-27-8-7-22-17;/h1-6,10,17,22H,7-9,11-12H2,(H,23,26);1H
InChIKeyGHHLDCKYPONLEX-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride with MolForge

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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]piperidine-3-carboxamide;hydrochloride
CID 119307611
N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119867908
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95020536
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119866777
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]morpholine-3-carboxamide
CID 119712459
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 86933819
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride (CID 119756087) is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1COCCN1.
What is the InChIKey of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is GHHLDCKYPONLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3.ClH/c21-15-4-3-14-9-19(25)24(18(14)10-15)11-13-1-5-16(6-2-13)23-20(26)17-12-27-8-7-22-17;/h1-6,10,17,22H,7-9,11-12H2,(H,23,26);1H.
What are the key properties of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 422.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119756087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).