N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H18N2O2 — CID 2853331

IUPACN-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H18N2O2/c16-14(18)11-3-1-2-4-13(11)17-15(19)12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8H2,(H2,16,18)(H,17,19)
InChIKeyWVWVSOBUVWEEGK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds3

About N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2853331) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2853331
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H18N2O2/c16-14(18)11-3-1-2-4-13(11)17-15(19)12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8H2,(H2,16,18)(H,17,19)
InChIKeyWVWVSOBUVWEEGK-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7448839
N-[2-(bromomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113274446
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920114
N-[2-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60802196

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2853331) is N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is NC(=O)c1ccccc1NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WVWVSOBUVWEEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-14(18)11-3-1-2-4-13(11)17-15(19)12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8H2,(H2,16,18)(H,17,19).
What are the key properties of N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2853331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).