(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide

C11H12ClFN2O — CID 173469704

IUPAC(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H12ClFN2O/c12-9-2-1-7(5-10(9)13)8-3-4-15(6-8)11(14)16/h1-2,5,8H,3-4,6H2,(H2,14,16)/t8-/m0/s1
InChIKeyZDNMQSYQTLMMLI-QMMMGPOBSA-N
MW242.68 g/mol
LogP2.35
Rot. Bonds1

About (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide

(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 173469704) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID173469704
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H12ClFN2O/c12-9-2-1-7(5-10(9)13)8-3-4-15(6-8)11(14)16/h1-2,5,8H,3-4,6H2,(H2,14,16)/t8-/m0/s1
InChIKeyZDNMQSYQTLMMLI-QMMMGPOBSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
3-(4-chlorophenyl)azetidine-1-carboxamide
CID 20744165
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
4-(4-chloro-3-fluorophenyl)cyclohexan-1-one
CID 134381360
tert-butyl (3S,4S)-3-amino-4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 129387404
5-[3-(3,4-difluorophenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 167824467
2-chloro-1-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanone
CID 166403888
3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid
CID 91485111
(3R)-3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-1-yl]pyrrolidine-1-carboxamide
CID 134602009
3-(4-chloro-3-fluorophenyl)cyclopentan-1-one
CID 130044708
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide (CID 173469704) is (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide is NC(=O)N1CC[C@H](c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is ZDNMQSYQTLMMLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-9-2-1-7(5-10(9)13)8-3-4-15(6-8)11(14)16/h1-2,5,8H,3-4,6H2,(H2,14,16)/t8-/m0/s1.
What are the key properties of (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide?
(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 242.68 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 173469704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).