N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide

C18H21FN2O — CID 170898176

IUPACN-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide
SMILESCCNC(CC)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O/c1-3-17(20-4-2)13-9-11-14(12-10-13)21-18(22)15-7-5-6-8-16(15)19/h5-12,17,20H,3-4H2,1-2H3,(H,21,22)
InChIKeyFBQQSEMTVIWHRJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.14
Rot. Bonds6

About N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide

N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide (PubChem CID 170898176) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide
PubChem CID170898176
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide
SMILESCCNC(CC)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O/c1-3-17(20-4-2)13-9-11-14(12-10-13)21-18(22)15-7-5-6-8-16(15)19/h5-12,17,20H,3-4H2,1-2H3,(H,21,22)
InChIKeyFBQQSEMTVIWHRJ-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
CID 5272227
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
CID 82022519
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
CID 833904
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide (CID 170898176) is N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide is CCNC(CC)c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide?
The InChIKey is FBQQSEMTVIWHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-3-17(20-4-2)13-9-11-14(12-10-13)21-18(22)15-7-5-6-8-16(15)19/h5-12,17,20H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide?
N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide has a molecular weight of 300.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)propyl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 170898176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).