N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C23H25FN2O2 — CID 60537972

IUPACN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1CC2CCC1C2)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H25FN2O2/c1-14(25-23(28)21-13-15-2-3-18(21)12-15)16-6-10-20(11-7-16)26-22(27)17-4-8-19(24)9-5-17/h4-11,14-15,18,21H,2-3,12-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZNJWEFHMBSWZDU-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.69
Rot. Bonds5

About N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 60537972) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID60537972
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1CC2CCC1C2)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H25FN2O2/c1-14(25-23(28)21-13-15-2-3-18(21)12-15)16-6-10-20(11-7-16)26-22(27)17-4-8-19(24)9-5-17/h4-11,14-15,18,21H,2-3,12-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZNJWEFHMBSWZDU-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182088
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
CID 154796734
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261801
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056
N-[4-[1-[[(2S,3R)-3-(cyclopentylamino)-2-hydroxybutanoyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 146094037
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 60537972) is N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1CC2CCC1C2)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZNJWEFHMBSWZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-14(25-23(28)21-13-15-2-3-18(21)12-15)16-6-10-20(11-7-16)26-22(27)17-4-8-19(24)9-5-17/h4-11,14-15,18,21H,2-3,12-13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 60537972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).