(4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone

C12H14ClFN2O — CID 90104075

IUPAC(4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone
SMILESCc1cc(N)c(Cl)cc1C(=O)N1CCC(F)C1
InChIInChI=1S/C12H14ClFN2O/c1-7-4-11(15)10(13)5-9(7)12(17)16-3-2-8(14)6-16/h4-5,8H,2-3,6,15H2,1H3
InChIKeyYAYROGWVSVAEQG-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.41
Rot. Bonds1

About (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone

(4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 90104075) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID90104075
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name(4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone
SMILESCc1cc(N)c(Cl)cc1C(=O)N1CCC(F)C1
InChIInChI=1S/C12H14ClFN2O/c1-7-4-11(15)10(13)5-9(7)12(17)16-3-2-8(14)6-16/h4-5,8H,2-3,6,15H2,1H3
InChIKeyYAYROGWVSVAEQG-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2-chloro-5-fluorophenyl)-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 176730179
(5-bromo-2-chloro-6-methyl-3-pyridinyl)-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 138013349
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 119793545
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804437
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 102705708
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone (CID 90104075) is (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone is Cc1cc(N)c(Cl)cc1C(=O)N1CCC(F)C1.
What is the InChIKey of (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is YAYROGWVSVAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-7-4-11(15)10(13)5-9(7)12(17)16-3-2-8(14)6-16/h4-5,8H,2-3,6,15H2,1H3.
What are the key properties of (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone?
(4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 256.71 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 90104075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).