2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide

C19H23Cl2NO — CID 7471208

IUPAC2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Cl)ccc2Cl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H23Cl2NO/c1-19(13-5-11-4-12(7-13)8-14(19)6-11)10-22-18(23)16-9-15(20)2-3-17(16)21/h2-3,9,11-14H,4-8,10H2,1H3,(H,22,23)
InChIKeyWBBXVYMFSXKITN-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.19
Rot. Bonds3

About 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide

2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide (PubChem CID 7471208) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide
PubChem CID7471208
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC Name2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Cl)ccc2Cl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H23Cl2NO/c1-19(13-5-11-4-12(7-13)8-14(19)6-11)10-22-18(23)16-9-15(20)2-3-17(16)21/h2-3,9,11-14H,4-8,10H2,1H3,(H,22,23)
InChIKeyWBBXVYMFSXKITN-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(2-methoxy-2-adamantyl)methyl]-4-nitrobenzamide
CID 90624151
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,5-dichlorobenzamide
CID 108539745
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
N'-(1-adamantyl)-2,5-dichlorobenzohydrazide
CID 134120732
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
CID 159122733

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide (CID 7471208) is 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide is CC1(CNC(=O)c2cc(Cl)ccc2Cl)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide?
The InChIKey is WBBXVYMFSXKITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-19(13-5-11-4-12(7-13)8-14(19)6-11)10-22-18(23)16-9-15(20)2-3-17(16)21/h2-3,9,11-14H,4-8,10H2,1H3,(H,22,23).
What are the key properties of 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide?
2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide has a molecular weight of 352.31 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-methyl-2-adamantyl)methyl]benzamide is sourced from PubChem (CID 7471208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).