2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid

C20H19FN2O4 — CID 119182088

IUPAC2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O4/c1-11(22-19(25)16-10-17(16)20(26)27)12-4-8-15(9-5-12)23-18(24)13-2-6-14(21)7-3-13/h2-9,11,16-17H,10H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyICQAJOAKNARAMD-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.98
Rot. Bonds6

About 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid

2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119182088) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119182088
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O4/c1-11(22-19(25)16-10-17(16)20(26)27)12-4-8-15(9-5-12)23-18(24)13-2-6-14(21)7-3-13/h2-9,11,16-17H,10H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyICQAJOAKNARAMD-UHFFFAOYSA-N
XLogP2.98
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60537972
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
CID 154796734
6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81351475
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
N-[4-[1-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119300704
N-[4-[1-[[(2S,3R)-3-(cyclopentylamino)-2-hydroxybutanoyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 146094037

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119182088) is 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC(NC(=O)C1CC1C(=O)O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ICQAJOAKNARAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-11(22-19(25)16-10-17(16)20(26)27)12-4-8-15(9-5-12)23-18(24)13-2-6-14(21)7-3-13/h2-9,11,16-17H,10H2,1H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 370.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119182088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).