(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide

C14H17ClFNO2 — CID 97330719

IUPAC(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCC1(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H17ClFNO2/c1-9(19-2)13(18)17-8-14(5-6-14)11-4-3-10(16)7-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyIOQNQQDQXCESQJ-SECBINFHSA-N
MW285.75 g/mol
LogP2.66
Rot. Bonds5

About (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide

(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide (PubChem CID 97330719) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
PubChem CID97330719
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCC1(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H17ClFNO2/c1-9(19-2)13(18)17-8-14(5-6-14)11-4-3-10(16)7-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyIOQNQQDQXCESQJ-SECBINFHSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
CID 166932189
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034093
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955326
(2S)-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 97064234
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034612
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036991
1-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123332
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide?
The IUPAC name of (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide (CID 97330719) is (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide is CO[C@H](C)C(=O)NCC1(c2ccc(F)cc2Cl)CC1.
What is the InChIKey of (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide?
The InChIKey is IOQNQQDQXCESQJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-9(19-2)13(18)17-8-14(5-6-14)11-4-3-10(16)7-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide?
(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide has a molecular weight of 285.75 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide is sourced from PubChem (CID 97330719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).