2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide

C12H16ClNO2 — CID 23325989

IUPAC2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide
SMILESCOCCN(C(=O)C(C)Cl)c1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-10(13)12(15)14(8-9-16-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyPIODPNXWAXXAQQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.29
Rot. Bonds5

About 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide

2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide (PubChem CID 23325989) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide
PubChem CID23325989
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide
SMILESCOCCN(C(=O)C(C)Cl)c1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-10(13)12(15)14(8-9-16-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyPIODPNXWAXXAQQ-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-methyl-1-phenylurea
CID 143444649
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
2-methyl-N-(2-phenoxyethyl)-N-phenylpropanamide
CID 141139388
2-chloro-N-hydroxy-N-phenylpropanamide
CID 57100198
4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
CID 62473233
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
CID 4943546
(2S)-N-ethyl-2-[[(2R)-1-methoxypropan-2-yl]amino]-N-phenylpropanamide
CID 95286080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide (CID 23325989) is 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide is COCCN(C(=O)C(C)Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide?
The InChIKey is PIODPNXWAXXAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-10(13)12(15)14(8-9-16-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide?
2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide is sourced from PubChem (CID 23325989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).