N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide

C28H28FNO3 — CID 42377641

IUPACN-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1
InChIInChI=1S/C28H28FNO3/c29-25-8-3-6-23(16-25)22-5-2-7-24(15-22)28(31)30(26-10-11-26)17-20-4-1-9-27(14-20)33-19-21-12-13-32-18-21/h1-9,14-16,21,26H,10-13,17-19H2/t21-/m0/s1
InChIKeyNBEZHPFIUUDDKR-NRFANRHFSA-N
MW445.53 g/mol
LogP5.71
Rot. Bonds8

About N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide

N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide (PubChem CID 42377641) has the molecular formula C28H28FNO3 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide
PubChem CID42377641
Molecular FormulaC28H28FNO3
Molecular Weight445.53 g/mol
Exact Mass445.21
IUPAC NameN-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1
InChIInChI=1S/C28H28FNO3/c29-25-8-3-6-23(16-25)22-5-2-7-24(15-22)28(31)30(26-10-11-26)17-20-4-1-9-27(14-20)33-19-21-12-13-32-18-21/h1-9,14-16,21,26H,10-13,17-19H2/t21-/m0/s1
InChIKeyNBEZHPFIUUDDKR-NRFANRHFSA-N
XLogP5.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide with MolForge

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Related Compounds

3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26340235
3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 45205894
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-cyclopropyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]-4-phenylbenzamide
CID 45175801
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid
CID 136551841
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 45184209
N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide (CID 42377641) is N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide is O=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide?
The InChIKey is NBEZHPFIUUDDKR-NRFANRHFSA-N. The full InChI is InChI=1S/C28H28FNO3/c29-25-8-3-6-23(16-25)22-5-2-7-24(15-22)28(31)30(26-10-11-26)17-20-4-1-9-27(14-20)33-19-21-12-13-32-18-21/h1-9,14-16,21,26H,10-13,17-19H2/t21-/m0/s1.
What are the key properties of N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide?
N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide has a molecular weight of 445.53 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 42377641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).