N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide

C18H21Cl2NO — CID 2829795

IUPACN-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c1-10(22)21-17-15(19)5-14(6-16(17)20)18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13H,2-4,7-9H2,1H3,(H,21,22)
InChIKeySUWBQKFAFSHQAW-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.42
Rot. Bonds2

About N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide

N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide (PubChem CID 2829795) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide
PubChem CID2829795
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC NameN-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C18H21Cl2NO/c1-10(22)21-17-15(19)5-14(6-16(17)20)18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13H,2-4,7-9H2,1H3,(H,21,22)
InChIKeySUWBQKFAFSHQAW-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide
CID 4545545
1-[3-(1-adamantyl)-5-methylphenyl]adamantane
CID 178165770
1-(1-adamantyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108896066
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
CID 50957907
N-[4-(1-adamantyl)-2-chlorophenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112833785
methyl 3-[25,26,27,28-tetrahydroxy-11,17,23-tris(3-methoxycarbonyl-1-adamantyl)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]adamantane-1-carboxylate
CID 12021547
(E)-3-[4-[4-acetamido-3-(1-adamantyl)phenyl]-3-chlorophenyl]prop-2-enoic acid
CID 25023777
2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 7666468
1-[[3-[4-(1-adamantyl)-2-chloroanilino]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 155133599
4-(1-adamantyl)-3-chlorophenol
CID 141391577
4-(1-adamantyl)-2,6-dimethylpyrylium perchlorate
CID 45048323

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
The IUPAC name of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide (CID 2829795) is N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide is CC(=O)Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Cl.
What is the InChIKey of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
The InChIKey is SUWBQKFAFSHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-10(22)21-17-15(19)5-14(6-16(17)20)18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13H,2-4,7-9H2,1H3,(H,21,22).
What are the key properties of N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide?
N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide has a molecular weight of 338.28 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-2,6-dichlorophenyl]acetamide is sourced from PubChem (CID 2829795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).