4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide

C21H23FN2O3 — CID 42572169

IUPAC4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3/c22-17-7-11-19(12-8-17)27-14-2-1-13-23-20(25)15-5-9-18(10-6-15)24-21(26)16-3-4-16/h5-12,16H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyCCUCMKOJRUDRRQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.76
Rot. Bonds9

About 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide

4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide (PubChem CID 42572169) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
PubChem CID42572169
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3/c22-17-7-11-19(12-8-17)27-14-2-1-13-23-20(25)15-5-9-18(10-6-15)24-21(26)16-3-4-16/h5-12,16H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyCCUCMKOJRUDRRQ-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 32644150
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603
N-[4-(4-fluorophenoxy)butyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 42572130

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide (CID 42572169) is 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide is O=C(NCCCCOc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide?
The InChIKey is CCUCMKOJRUDRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-17-7-11-19(12-8-17)27-14-2-1-13-23-20(25)15-5-9-18(10-6-15)24-21(26)16-3-4-16/h5-12,16H,1-4,13-14H2,(H,23,25)(H,24,26).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide has a molecular weight of 370.42 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide is sourced from PubChem (CID 42572169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).