2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide

C19H24ClFN2O2 — CID 166932189

IUPAC2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
SMILESNC(C(=O)NCC1(c2ccc(F)cc2Cl)CC1)C1CCC(C=O)CC1
InChIInChI=1S/C19H24ClFN2O2/c20-16-9-14(21)5-6-15(16)19(7-8-19)11-23-18(25)17(22)13-3-1-12(10-24)2-4-13/h5-6,9-10,12-13,17H,1-4,7-8,11,22H2,(H,23,25)
InChIKeyHOALHTQMYOVXRC-UHFFFAOYSA-N
MW366.86 g/mol
LogP2.96
Rot. Bonds6

About 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide

2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide (PubChem CID 166932189) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
PubChem CID166932189
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
SMILESNC(C(=O)NCC1(c2ccc(F)cc2Cl)CC1)C1CCC(C=O)CC1
InChIInChI=1S/C19H24ClFN2O2/c20-16-9-14(21)5-6-15(16)19(7-8-19)11-23-18(25)17(22)13-3-1-12(10-24)2-4-13/h5-6,9-10,12-13,17H,1-4,7-8,11,22H2,(H,23,25)
InChIKeyHOALHTQMYOVXRC-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86763007
(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
CID 97330719
2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide
CID 166932266
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762956
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763121
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932367
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955326
N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 166932086
1-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123332

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide?
The IUPAC name of 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide (CID 166932189) is 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide?
The canonical SMILES for 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide is NC(C(=O)NCC1(c2ccc(F)cc2Cl)CC1)C1CCC(C=O)CC1.
What is the InChIKey of 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide?
The InChIKey is HOALHTQMYOVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c20-16-9-14(21)5-6-15(16)19(7-8-19)11-23-18(25)17(22)13-3-1-12(10-24)2-4-13/h5-6,9-10,12-13,17H,1-4,7-8,11,22H2,(H,23,25).
What are the key properties of 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide?
2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide has a molecular weight of 366.86 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide is sourced from PubChem (CID 166932189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).