N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide

C18H23ClN2O — CID 20670051

IUPACN-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
SMILESNc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl
InChIInChI=1S/C18H23ClN2O/c19-16-14(2-1-3-15(16)20)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22)
InChIKeyAPQGKYMFIGMIAV-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.87
Rot. Bonds3

About N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide

N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide (PubChem CID 20670051) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
PubChem CID20670051
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
SMILESNc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl
InChIInChI=1S/C18H23ClN2O/c19-16-14(2-1-3-15(16)20)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22)
InChIKeyAPQGKYMFIGMIAV-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantylmethyl)-2-chloro-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]benzamide
CID 86611835
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
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N-(1-adamantylmethyl)-2-(2-aminoethylsulfanyl)pyridine-3-carboxamide
CID 20670020
3-amino-2-chloro-N-(2,2-dimethylcyclopropyl)benzamide
CID 112575815
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide
CID 20670047
N-(1-adamantylmethyl)-2-(3-amino-3-oxoprop-1-en-2-yl)-1-oxoisoquinoline-5-carboxamide
CID 163629809

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide (CID 20670051) is N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide is Nc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide?
The InChIKey is APQGKYMFIGMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c19-16-14(2-1-3-15(16)20)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide?
N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide has a molecular weight of 318.85 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide is sourced from PubChem (CID 20670051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).