N-[(3,5-dichlorophenyl)methyl]acetamide

C9H9Cl2NO — CID 18425630

IUPACN-[(3,5-dichlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-2-8(10)4-9(11)3-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJBMPIMXRRSZVJX-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.63
Rot. Bonds2

About N-[(3,5-dichlorophenyl)methyl]acetamide

N-[(3,5-dichlorophenyl)methyl]acetamide (PubChem CID 18425630) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]acetamide
PubChem CID18425630
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC NameN-[(3,5-dichlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-2-8(10)4-9(11)3-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJBMPIMXRRSZVJX-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
CID 60789054
N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
CID 67148459
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
(2,4,6-trichlorophenyl) 4-(acetamidomethyl)benzoate
CID 46819914
N-[(3,5-dichlorophenyl)methyl]hydroxylamine
CID 75481736
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
(3,5-dichlorophenyl)methylthiourea;hydrochloride
CID 23079401
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
4-(acetamidomethyl)benzoyl chloride
CID 13131539
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]acetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]acetamide (CID 18425630) is N-[(3,5-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]acetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]acetamide is CC(=O)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]acetamide?
The InChIKey is JBMPIMXRRSZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-2-8(10)4-9(11)3-7/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]acetamide?
N-[(3,5-dichlorophenyl)methyl]acetamide has a molecular weight of 218.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 18425630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).