2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide

C15H21ClN2O3 — CID 95160627

IUPAC2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C15H21ClN2O3/c1-10(13-4-3-7-21-13)18-15(19)9-17-12-8-11(16)5-6-14(12)20-2/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyCRDBGWFCULAZOW-MFKMUULPSA-N
MW312.80 g/mol
LogP2.44
Rot. Bonds6

About 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide

2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (PubChem CID 95160627) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
PubChem CID95160627
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C15H21ClN2O3/c1-10(13-4-3-7-21-13)18-15(19)9-17-12-8-11(16)5-6-14(12)20-2/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyCRDBGWFCULAZOW-MFKMUULPSA-N
XLogP2.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 17330428
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 124753412
2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 42562997
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6467333
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (CID 95160627) is 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is COc1ccc(Cl)cc1NCC(=O)N[C@H](C)[C@@H]1CCCO1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is CRDBGWFCULAZOW-MFKMUULPSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10(13-4-3-7-21-13)18-15(19)9-17-12-8-11(16)5-6-14(12)20-2/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,13+/m1/s1.
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 312.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 95160627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).