2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone

C19H21ClN2O2 — CID 122150652

IUPAC2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ccc(Cl)cc1C(O)c1ccccc1)N1CCCC1
InChIInChI=1S/C19H21ClN2O2/c20-15-8-9-17(21-13-18(23)22-10-4-5-11-22)16(12-15)19(24)14-6-2-1-3-7-14/h1-3,6-9,12,19,21,24H,4-5,10-11,13H2
InChIKeyJHJRARYQFIMMGR-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone

2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone (PubChem CID 122150652) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone
PubChem CID122150652
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ccc(Cl)cc1C(O)c1ccccc1)N1CCCC1
InChIInChI=1S/C19H21ClN2O2/c20-15-8-9-17(21-13-18(23)22-10-4-5-11-22)16(12-15)19(24)14-6-2-1-3-7-14/h1-3,6-9,12,19,21,24H,4-5,10-11,13H2
InChIKeyJHJRARYQFIMMGR-UHFFFAOYSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone 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

2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2486451
1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
CID 103232277
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide
CID 95733655
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 55897405
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2-(5-chloro-2-phenoxyanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55893105
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 50882389
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone (CID 122150652) is 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone is O=C(CNc1ccc(Cl)cc1C(O)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone?
The InChIKey is JHJRARYQFIMMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-8-9-17(21-13-18(23)22-10-4-5-11-22)16(12-15)19(24)14-6-2-1-3-7-14/h1-3,6-9,12,19,21,24H,4-5,10-11,13H2.
What are the key properties of 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone?
2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone has a molecular weight of 344.84 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 122150652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).