N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide

C16H14Cl2FNO2 — CID 60621030

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c17-12-2-4-13(5-3-12)22-8-7-16(21)20-10-11-1-6-15(19)14(18)9-11/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyCOAKTRDLQHBKLK-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.22
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide

N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide (PubChem CID 60621030) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
PubChem CID60621030
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c17-12-2-4-13(5-3-12)22-8-7-16(21)20-10-11-1-6-15(19)14(18)9-11/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyCOAKTRDLQHBKLK-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
3-(3-chloro-4-fluorophenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 47043112
3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55609644
N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
CID 63905458
2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
CID 82042352
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591
2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
CID 79349579
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51158751
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 103042817
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide (CID 60621030) is N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide is O=C(CCOc1ccc(Cl)cc1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide?
The InChIKey is COAKTRDLQHBKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c17-12-2-4-13(5-3-12)22-8-7-16(21)20-10-11-1-6-15(19)14(18)9-11/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide has a molecular weight of 342.20 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 60621030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).