3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide

C16H14BrClFNO2 — CID 91686226

IUPAC3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
SMILESNC(=O)CCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C16H14BrClFNO2/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-3,6-8H,4-5,9H2,(H2,20,21)
InChIKeyIERBLYYXOZGXNM-UHFFFAOYSA-N
MW386.65 g/mol
LogP4.24
Rot. Bonds6

About 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide

3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide (PubChem CID 91686226) has the molecular formula C16H14BrClFNO2 and a molecular weight of 386.65 g/mol. Its IUPAC name is 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
PubChem CID91686226
Molecular FormulaC16H14BrClFNO2
Molecular Weight386.65 g/mol
Exact Mass384.99
IUPAC Name3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
SMILESNC(=O)CCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C16H14BrClFNO2/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-3,6-8H,4-5,9H2,(H2,20,21)
InChIKeyIERBLYYXOZGXNM-UHFFFAOYSA-N
XLogP4.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 91686030
3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 82153732
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
3-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid
CID 23648095
3-[3,5-dibromo-4-[(3,5-difluorophenyl)methoxy]phenyl]propanoic acid
CID 10225830
3-(3,5-dibromo-4-phenylmethoxyphenyl)propanoic acid
CID 23648092
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725
3-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
CID 10113366
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
(NE)-N-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91682760
(Z)-N-carbamoyl-2-cyano-3-[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 126246199

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The IUPAC name of 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide (CID 91686226) is 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide.
What is the SMILES notation for 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The canonical SMILES for 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide is NC(=O)CCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1.
What is the InChIKey of 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The InChIKey is IERBLYYXOZGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO2/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-3,6-8H,4-5,9H2,(H2,20,21).
What are the key properties of 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide has a molecular weight of 386.65 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide is sourced from PubChem (CID 91686226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).