(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide

C11H13Cl2N3O — CID 107654257

IUPAC(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
SMILESN[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C11H13Cl2N3O/c12-7-3-8(13)5-10(4-7)15-11(17)16-2-1-9(14)6-16/h3-5,9H,1-2,6,14H2,(H,15,17)/t9-/m0/s1
InChIKeyAKVUAOZLUVJQRM-VIFPVBQESA-N
MW274.15 g/mol
LogP2.56
Rot. Bonds1

About (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide

(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide (PubChem CID 107654257) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
PubChem CID107654257
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
SMILESN[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C11H13Cl2N3O/c12-7-3-8(13)5-10(4-7)15-11(17)16-2-1-9(14)6-16/h3-5,9H,1-2,6,14H2,(H,15,17)/t9-/m0/s1
InChIKeyAKVUAOZLUVJQRM-VIFPVBQESA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 107654152
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
N-(3,5-dichlorophenyl)-3-sulfamoylpiperidine-1-carboxamide
CID 103858615
3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide
CID 164946130
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide (CID 107654257) is (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide is N[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is AKVUAOZLUVJQRM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c12-7-3-8(13)5-10(4-7)15-11(17)16-2-1-9(14)6-16/h3-5,9H,1-2,6,14H2,(H,15,17)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide?
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 274.15 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 107654257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).