N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide

C22H22ClN3O2 — CID 55727249

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C22H22ClN3O2/c23-16-8-9-20(18(13-16)22(28)26-11-3-4-12-26)25-21(27)10-7-15-14-24-19-6-2-1-5-17(15)19/h1-2,5-6,8-9,13-14,24H,3-4,7,10-12H2,(H,25,27)
InChIKeyKJWNITNAAUSHPB-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.63
Rot. Bonds5

About N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 55727249) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID55727249
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C22H22ClN3O2/c23-16-8-9-20(18(13-16)22(28)26-11-3-4-12-26)25-21(27)10-7-15-14-24-19-6-2-1-5-17(15)19/h1-2,5-6,8-9,13-14,24H,3-4,7,10-12H2,(H,25,27)
InChIKeyKJWNITNAAUSHPB-UHFFFAOYSA-N
XLogP4.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide 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

3-(1H-indol-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35326224
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 27672602
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 55751738
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide (CID 55727249) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(=O)N1CCCC1.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is KJWNITNAAUSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-16-8-9-20(18(13-16)22(28)26-11-3-4-12-26)25-21(27)10-7-15-14-24-19-6-2-1-5-17(15)19/h1-2,5-6,8-9,13-14,24H,3-4,7,10-12H2,(H,25,27).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 395.89 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 55727249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).