1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide

C11H14ClFN4O — CID 103552483

IUPAC1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C11H14ClFN4O/c12-8-5(14)4-6(15)10(9(8)13)17-3-1-2-7(17)11(16)18/h4,7H,1-3,14-15H2,(H2,16,18)
InChIKeyUNZFJLSKSRWQEX-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.10
Rot. Bonds2

About 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide

1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 103552483) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID103552483
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC Name1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C11H14ClFN4O/c12-8-5(14)4-6(15)10(9(8)13)17-3-1-2-7(17)11(16)18/h4,7H,1-3,14-15H2,(H2,16,18)
InChIKeyUNZFJLSKSRWQEX-UHFFFAOYSA-N
XLogP1.10
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,6-diamino-3-chloro-2-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103552707
1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
CID 54985308
1-(4-carbamothioyl-2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 81285997
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(2-amino-4-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55215875
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 116735707
1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 86258443
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
1-(4-carbamothioyl-2,3-difluorophenyl)pyrrolidine-2-carboxamide
CID 107934486
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide (CID 103552483) is 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is UNZFJLSKSRWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN4O/c12-8-5(14)4-6(15)10(9(8)13)17-3-1-2-7(17)11(16)18/h4,7H,1-3,14-15H2,(H2,16,18).
What are the key properties of 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide?
1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103552483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).