N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C22H24N2O3 — CID 51261801

IUPACN-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC4CCC3C4)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-27-19-10-8-18(9-11-19)23-21(25)15-4-6-17(7-5-15)24-22(26)20-13-14-2-3-16(20)12-14/h4-11,14,16,20H,2-3,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyLOCFOPRBVFJZKG-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.32
Rot. Bonds5

About N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51261801) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51261801
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC4CCC3C4)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-27-19-10-8-18(9-11-19)23-21(25)15-4-6-17(7-5-15)24-22(26)20-13-14-2-3-16(20)12-14/h4-11,14,16,20H,2-3,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyLOCFOPRBVFJZKG-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
ethyl 4-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 7302295
N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124860
propyl 4-(bicyclo[2.2.1]heptane-2-carbonylamino)benzoate
CID 3386849
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643
N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124816
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51261801) is N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(NC(=O)c2ccc(NC(=O)C3CC4CCC3C4)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LOCFOPRBVFJZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-19-10-8-18(9-11-19)23-21(25)15-4-6-17(7-5-15)24-22(26)20-13-14-2-3-16(20)12-14/h4-11,14,16,20H,2-3,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51261801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).