N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide

C17H15Cl2FN2O — CID 143648501

IUPACN-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide
SMILESO=CNc1cc(Cl)c(F)cc1C1CNC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O/c18-11-3-1-2-10(4-11)13-7-21-8-14(13)12-5-16(20)15(19)6-17(12)22-9-23/h1-6,9,13-14,21H,7-8H2,(H,22,23)/t13-,14?/m1/s1
InChIKeyYTJDGIAGJQTVKB-KWCCSABGSA-N
MW353.22 g/mol
LogP4.17
Rot. Bonds4

About N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide

N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide (PubChem CID 143648501) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide
PubChem CID143648501
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC NameN-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide
SMILESO=CNc1cc(Cl)c(F)cc1C1CNC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O/c18-11-3-1-2-10(4-11)13-7-21-8-14(13)12-5-16(20)15(19)6-17(12)22-9-23/h1-6,9,13-14,21H,7-8H2,(H,22,23)/t13-,14?/m1/s1
InChIKeyYTJDGIAGJQTVKB-KWCCSABGSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-[(4S)-4-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide;2,2-dimethylpropane;N-(5-hydroxypentyl)formamide
CID 143648442
N-[5-chloro-2-[(3R,4S)-4-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide;2,2-dimethylpropane;methylcyclopentane;N-propylformamide
CID 143648555
N-[5-chloro-2-[(3R,4S)-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide;2,2-dimethylpropane;N-[5-hydroxy-4-(hydroxymethyl)pentyl]formamide
CID 143648327
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014
N-[5-chloro-4-fluoro-2-[(3R,4R)-4-[(2Z,4Z)-6-fluoro-5-methylhepta-2,4,6-trienyl]pyrrolidin-3-yl]phenyl]formamide
CID 143648382
4-(5-chloro-2-fluorophenyl)-3-(3-fluorophenyl)piperidine
CID 114867327
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108
(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
CID 79455204
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
CID 125452847

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide?
The IUPAC name of N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide (CID 143648501) is N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide.
What is the SMILES notation for N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide?
The canonical SMILES for N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide is O=CNc1cc(Cl)c(F)cc1C1CNC[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide?
The InChIKey is YTJDGIAGJQTVKB-KWCCSABGSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O/c18-11-3-1-2-10(4-11)13-7-21-8-14(13)12-5-16(20)15(19)6-17(12)22-9-23/h1-6,9,13-14,21H,7-8H2,(H,22,23)/t13-,14?/m1/s1.
What are the key properties of N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide?
N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide has a molecular weight of 353.22 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide is sourced from PubChem (CID 143648501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).