N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H20N2O2 — CID 47124918

IUPACN-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C16H20N2O2/c17-15(19)12-4-1-10(2-5-12)9-18-16(20)14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14H,3,6-9H2,(H2,17,19)(H,18,20)
InChIKeyFSLZVKLHUCLKRE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.84
Rot. Bonds4

About N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47124918) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47124918
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C16H20N2O2/c17-15(19)12-4-1-10(2-5-12)9-18-16(20)14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14H,3,6-9H2,(H2,17,19)(H,18,20)
InChIKeyFSLZVKLHUCLKRE-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 43209946
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76932736
(1R,2R,4S)-N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 94506132
(1S,2R,4S)-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129376830
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262006
(1R,4S)-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 165147917
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64928421
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
N-(2-amino-2-sulfanylideneethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366322

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 47124918) is N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is NC(=O)c1ccc(CNC(=O)C2CC3CCC2C3)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FSLZVKLHUCLKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-15(19)12-4-1-10(2-5-12)9-18-16(20)14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14H,3,6-9H2,(H2,17,19)(H,18,20).
What are the key properties of N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47124918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).