5-acetamido-N-(1-adamantyl)-2-chlorobenzamide

C19H23ClN2O2 — CID 50957907

IUPAC5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H23ClN2O2/c1-11(23)21-15-2-3-17(20)16(7-15)18(24)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyDDFSTSIXJPWDOK-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.00
Rot. Bonds3

About 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide

5-acetamido-N-(1-adamantyl)-2-chlorobenzamide (PubChem CID 50957907) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
PubChem CID50957907
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H23ClN2O2/c1-11(23)21-15-2-3-17(20)16(7-15)18(24)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyDDFSTSIXJPWDOK-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 119350557
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
2-(4-acetamido-3-chloroanilino)-N-(1-adamantyl)propanamide
CID 42896521
N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512826
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
CID 25192712
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide?
The IUPAC name of 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide (CID 50957907) is 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide.
What is the SMILES notation for 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide?
The canonical SMILES for 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide is CC(=O)Nc1ccc(Cl)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide?
The InChIKey is DDFSTSIXJPWDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-11(23)21-15-2-3-17(20)16(7-15)18(24)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide?
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide has a molecular weight of 346.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(1-adamantyl)-2-chlorobenzamide is sourced from PubChem (CID 50957907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).