1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide

C12H15ClFN3O — CID 66077177

IUPAC1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(F)c(Cl)cc2N)C1
InChIInChI=1S/C12H15ClFN3O/c13-8-4-10(15)11(5-9(8)14)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18)
InChIKeyJTXCBUFFHZGFMM-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.76
Rot. Bonds2

About 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide

1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide (PubChem CID 66077177) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
PubChem CID66077177
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC Name1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(F)c(Cl)cc2N)C1
InChIInChI=1S/C12H15ClFN3O/c13-8-4-10(15)11(5-9(8)14)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18)
InChIKeyJTXCBUFFHZGFMM-UHFFFAOYSA-N
XLogP1.76
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-fluoro-2-(3-methylpiperidin-1-yl)aniline
CID 66079508
1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 66077237
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
5-chloro-4-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66077256
1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
CID 65341597
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
1-(6-amino-3,5-dichloro-2-pyridinyl)piperidine-3-carboxamide
CID 102754346
5-chloro-4-fluoro-2-(4-methylsulfanylazepan-1-yl)aniline
CID 114236703
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
CID 106747103
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide (CID 66077177) is 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2cc(F)c(Cl)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is JTXCBUFFHZGFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O/c13-8-4-10(15)11(5-9(8)14)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18).
What are the key properties of 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide?
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 271.72 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 66077177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).