N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

C20H24ClFN2O — CID 110510580

IUPACN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)N/N=C/c1c(F)cccc1Cl)(C3)C2
InChIInChI=1S/C20H24ClFN2O/c1-18-6-13-7-19(2,10-18)12-20(8-13,11-18)17(25)24-23-9-14-15(21)4-3-5-16(14)22/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,24,25)/b23-9+
InChIKeyQNRFCZLOERNDQN-NUGSKGIGSA-N
MW362.88 g/mol
LogP4.93
Rot. Bonds3

About N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 110510580) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
PubChem CID110510580
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)N/N=C/c1c(F)cccc1Cl)(C3)C2
InChIInChI=1S/C20H24ClFN2O/c1-18-6-13-7-19(2,10-18)12-20(8-13,11-18)17(25)24-23-9-14-15(21)4-3-5-16(14)22/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,24,25)/b23-9+
InChIKeyQNRFCZLOERNDQN-NUGSKGIGSA-N
XLogP4.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methylideneamino]adamantane-1-carboxamide
CID 4683119
(3R,5S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 135708248
N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 171134360
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510593
N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510524
3,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]adamantane-1-carboxamide
CID 45022544
3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide
CID 110510606
3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 110510634
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
(3R,5R)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136856659
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 4662383

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (CID 110510580) is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)N/N=C/c1c(F)cccc1Cl)(C3)C2.
What is the InChIKey of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is QNRFCZLOERNDQN-NUGSKGIGSA-N. The full InChI is InChI=1S/C20H24ClFN2O/c1-18-6-13-7-19(2,10-18)12-20(8-13,11-18)17(25)24-23-9-14-15(21)4-3-5-16(14)22/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,24,25)/b23-9+.
What are the key properties of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 362.88 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 110510580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).