(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide

C19H28FN3O2 — CID 99856429

IUPAC(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1
InChIInChI=1S/C19H28FN3O2/c1-22(2)12-14-9-10-23(13-14)19(24)21-17-8-7-15(20)11-18(17)25-16-5-3-4-6-16/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyHBITYSSQIWZHBW-CQSZACIVSA-N
MW349.45 g/mol
LogP3.56
Rot. Bonds5

About (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide

(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide (PubChem CID 99856429) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
PubChem CID99856429
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1
InChIInChI=1S/C19H28FN3O2/c1-22(2)12-14-9-10-23(13-14)19(24)21-17-8-7-15(20)11-18(17)25-16-5-3-4-6-16/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyHBITYSSQIWZHBW-CQSZACIVSA-N
XLogP3.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide 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

(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010868
(3R)-N-[2-(2,4-difluorophenoxy)ethyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99626997
(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138727
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
(3S)-N-[(1R)-1-(2,4-difluorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99628195
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
N-(5-fluoro-2-phenoxyphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 71854681
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide (CID 99856429) is (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide is CN(C)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1.
What is the InChIKey of (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
The InChIKey is HBITYSSQIWZHBW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-22(2)12-14-9-10-23(13-14)19(24)21-17-8-7-15(20)11-18(17)25-16-5-3-4-6-16/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99856429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).