N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide

C13H17ClN2O2 — CID 175704077

IUPACN-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c([C@@H]2COCCCN2)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(17)16-10-3-4-12(14)11(7-10)13-8-18-6-2-5-15-13/h3-4,7,13,15H,2,5-6,8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyXQTQBKXAVOEUHF-ZDUSSCGKSA-N
MW268.74 g/mol
LogP2.35
Rot. Bonds2

About N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide

N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide (PubChem CID 175704077) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide
PubChem CID175704077
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c([C@@H]2COCCCN2)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(17)16-10-3-4-12(14)11(7-10)13-8-18-6-2-5-15-13/h3-4,7,13,15H,2,5-6,8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyXQTQBKXAVOEUHF-ZDUSSCGKSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)morpholine
CID 126971180
tert-butyl (3R)-3-(5-acetamido-2-chlorophenyl)-1,4-oxazepane-4-carboxylate
CID 175704250
(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol
CID 146193835
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
3-(6-chloroquinolin-4-yl)-1,4-oxazepane
CID 82666518
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide (CID 175704077) is N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)c([C@@H]2COCCCN2)c1.
What is the InChIKey of N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide?
The InChIKey is XQTQBKXAVOEUHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(17)16-10-3-4-12(14)11(7-10)13-8-18-6-2-5-15-13/h3-4,7,13,15H,2,5-6,8H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide?
N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide is sourced from PubChem (CID 175704077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).