N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide

C12H14Cl3NO2 — CID 106182352

IUPACN-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESCOCC(CCl)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO2/c1-18-7-9(6-13)16-12(17)5-8-2-3-10(14)11(15)4-8/h2-4,9H,5-7H2,1H3,(H,16,17)
InChIKeyJJGGUGDSKWIQOF-UHFFFAOYSA-N
MW310.61 g/mol
LogP2.91
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide

N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 106182352) has the molecular formula C12H14Cl3NO2 and a molecular weight of 310.61 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID106182352
Molecular FormulaC12H14Cl3NO2
Molecular Weight310.61 g/mol
Exact Mass309.01
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
SMILESCOCC(CCl)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO2/c1-18-7-9(6-13)16-12(17)5-8-2-3-10(14)11(15)4-8/h2-4,9H,5-7H2,1H3,(H,16,17)
InChIKeyJJGGUGDSKWIQOF-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307074
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
CID 46179903
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 81077193
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide (CID 106182352) is N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide is COCC(CCl)NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is JJGGUGDSKWIQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO2/c1-18-7-9(6-13)16-12(17)5-8-2-3-10(14)11(15)4-8/h2-4,9H,5-7H2,1H3,(H,16,17).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide?
N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 310.61 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 106182352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).