N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide

C23H26ClN3O3 — CID 55619888

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CCn2ccc3ccccc32)cc1Cl
InChIInChI=1S/C23H26ClN3O3/c1-3-26(4-2)23(29)16-30-21-10-9-18(15-19(21)24)25-22(28)12-14-27-13-11-17-7-5-6-8-20(17)27/h5-11,13,15H,3-4,12,14,16H2,1-2H3,(H,25,28)
InChIKeyQBOBGTJDEXRWAT-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.57
Rot. Bonds9

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide (PubChem CID 55619888) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide
PubChem CID55619888
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CCn2ccc3ccccc32)cc1Cl
InChIInChI=1S/C23H26ClN3O3/c1-3-26(4-2)23(29)16-30-21-10-9-18(15-19(21)24)25-22(28)12-14-27-13-11-17-7-5-6-8-20(17)27/h5-11,13,15H,3-4,12,14,16H2,1-2H3,(H,25,28)
InChIKeyQBOBGTJDEXRWAT-UHFFFAOYSA-N
XLogP4.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 39171394
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47352808
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide (CID 55619888) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide is CCN(CC)C(=O)COc1ccc(NC(=O)CCn2ccc3ccccc32)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide?
The InChIKey is QBOBGTJDEXRWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-3-26(4-2)23(29)16-30-21-10-9-18(15-19(21)24)25-22(28)12-14-27-13-11-17-7-5-6-8-20(17)27/h5-11,13,15H,3-4,12,14,16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide has a molecular weight of 427.93 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 55619888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).