N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide

C17H21FN2O — CID 16773628

IUPACN-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
SMILESNc1cc(F)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21FN2O/c18-13-1-2-15(14(19)6-13)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9,19H2,(H,20,21)
InChIKeyTWWCJHGBGBCYJN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.56
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide

N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide (PubChem CID 16773628) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
PubChem CID16773628
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
SMILESNc1cc(F)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21FN2O/c18-13-1-2-15(14(19)6-13)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9,19H2,(H,20,21)
InChIKeyTWWCJHGBGBCYJN-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.56
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-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
CID 5200465
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 5065233
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 4919442
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
CID 104779359
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
CID 81261991
N-(3-amino-4-chlorophenyl)adamantane-1-carboxamide
CID 16772902
(5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 2113814
(E)-N-(2-amino-4-fluorophenyl)-3-[4-[[methyl(3-tricyclo[3.3.1.03,7]nonanylmethyl)amino]methyl]phenyl]prop-2-enamide
CID 118699562
N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 9455070

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide (CID 16773628) is N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide is Nc1cc(F)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide?
The InChIKey is TWWCJHGBGBCYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-13-1-2-15(14(19)6-13)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9,19H2,(H,20,21).
What are the key properties of N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide?
N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 16773628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).