N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide

C14H16ClFN2O2 — CID 4787566

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2O2/c15-11-8-10(16)5-6-12(11)17-13(19)9-18-7-3-1-2-4-14(18)20/h5-6,8H,1-4,7,9H2,(H,17,19)
InChIKeyPORQBMNQTYBBEY-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.82
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 4787566) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID4787566
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2O2/c15-11-8-10(16)5-6-12(11)17-13(19)9-18-7-3-1-2-4-14(18)20/h5-6,8H,1-4,7,9H2,(H,17,19)
InChIKeyPORQBMNQTYBBEY-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
CID 55887711
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide (CID 4787566) is N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is PORQBMNQTYBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c15-11-8-10(16)5-6-12(11)17-13(19)9-18-7-3-1-2-4-14(18)20/h5-6,8H,1-4,7,9H2,(H,17,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 298.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 4787566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).